PROTAC-PatentDB: A PROTAC Patent Compound Dataset.

ABSTRACT: Proteolysis-targeting chimeras (PROTAC) are emerging and promising molecules for targeted protein degradation which have the potential to overcome critical bottlenecks in traditional small molecule drug development. However, the scarcity of publicly available data on molecular compound structures has significantly hindered computational drug discovery and AI-aided drug discovery/design (AIDD) in this field. Patents are an important but underutilized source of novel chemical structures in medicinal chemistry. In this study, we collected PROTAC patents published in 2013-2023 and the associated chemical structures disclosed therein. Through manual screening and expert curation, we identified 63,136 unique PROTAC compounds under 590 patent families, along with 252 targets. Additionally, we emp

SUBMITTER: Cai H 

PROVIDER: S-EPMC12630821 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature