SCHEMBL43862

SCHEMBL43862

N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.76
PTPN1 P18031 2/20 0.69
SLC7A5 Q01650 3/20 0.62
PTGS1 P23219 3/20 0.61
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
XIAP P98170 1/20 0.61
TPH1 P17752 3/20 0.58
KIF11 P52732 1/20 0.55
ALOX15 P16050 3/20 0.53
HIF1A Q16665 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
HTR2A P28223 1/20 0.53
PTGS2 P35354 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL43861 1.00 GRB2 (0.76) GRB2PTPN1SLC7A5PTGS1ALPI
SCHEMBL148122 1.00 GRB2 (0.76) GRB2PTPN1SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL4364332 0.98 GRB2 (0.73) GRB2PTPN1SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL16289248 0.98 GRB2 (0.73) GRB2PTPN1SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL29399075 0.98 GRB2 (0.73) GRB2PTPN1SLC7A5PTGS1ALPI
Dl-Phenylalanine SCHEMBL28313877 0.95 SLC7A5 (0.71) GRB2PTPN1SLC7A5PTGS1ALPI
SCHEMBL28901130 0.94 GRB2 (0.68) GRB2PTPN1SLC7A5PTGS1ALPI
SCHEMBL28901132 0.94 GRB2 (0.68) GRB2PTPN1SLC7A5PTGS1ALPI
SCHEMBL13205275 0.92 GRB2 (0.66) GRB2PTPN1SLC7A5PTGS1ALPI
SCHEMBL21803821 0.91 GRB2 (0.64) GRB2PTPN1SLC7A5PTGS1ALPI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2634 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094701-A TLR3 binding bicyclic peptide ligands 2026-05-26 CN claimed
EP-4745151-A1 FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2026-05-20 EP claimed
US-20260116922-A1 HIGHLY STABLE OXYTOCIN DERIVATIVES UNIVERSITAET WIEN (AT) 2026-04-30 US claimed
EP-4727653-A1 DLL3 TARGETING PEPTIDES AND CONSTRUCTS THEREOF Mariana Oncology Inc. (US) 2026-04-22 EP claimed
EP-4727655-A1 DLL3 TARGETING PEPTIDES AND CONSTRUCTS THEREOF Mariana Oncology Inc. (US) 2026-04-22 EP claimed
EP-4727654-A1 DLL3 TARGETING PEPTIDES AND CONSTRUCTS THEREOF Mariana Oncology Inc. (US) 2026-04-22 EP claimed
US-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-11-06 US claimed
US-20250325672-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS BICYCLE TX LTD (GB) 2025-10-23 US claimed
US-20250304620-A1 ANTIMICROBIAL PEPTIDE AND APPLICATION THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-10-02 US claimed
EP-4619043-A1 FIBROBLAST ACTIVATION PROTEIN TARGETED COMPOUNDS AND USE THEREOF Perspective Therapeutics, Inc. (US) 2025-09-24 EP claimed
US-7053214-B2 β-sheet mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2006-05-30 US claimed
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO claimed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US claimed
WO-2005122379-A2 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO claimed
US-20050208140-A1 Short peptide carrier system for cellular delivery of agent TSRL, INC. 2005-09-22 US claimed
US-6943157-B2 Reverse-turn mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2005-09-13 US claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed