SCHEMBL43861

SCHEMBL43861

NC(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
SCHEMBL43862 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

Claimed or disclosed in 1832 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325672-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS BICYCLE TX LTD (GB) 2025-10-23 US claimed
EP-4619043-A1 FIBROBLAST ACTIVATION PROTEIN TARGETED COMPOUNDS AND USE THEREOF Perspective Therapeutics, Inc. (US) 2025-09-24 EP claimed
WO-2025128149-A1 FIBROBLAST ACTIVATION PROTEIN TARGETED COMPOUNDS AND USE THEREOF VIEWPOINT MOLECULAR TARGETING, INC. (US) 2025-06-19 WO claimed
US-20250186630-A1 FIBROBLAST ACTIVATION PROTEIN TARGETING PEPTIDES VIEWPOINT MOLECULAR TARGETING, INC. (US) 2025-06-12 US claimed
EP-4522221-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACID THERAPEUTICS Entrada Therapeutics, Inc. (US) 2025-03-19 EP claimed
CN-118812647-A Novel insect short neuropeptide sNPF analogue and application thereof 四川轻化工大学 2024-10-22 CN claimed
EP-4274838-B1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NK CELLS BICYCLETX LTD (GB) 2024-09-25 EP claimed
CN-113481228-B Microbial unnatural amino acid introducing system and construction method 中国药科大学 2024-07-19 CN claimed
CN-118317615-A Hole transport layer and preparation method and application thereof 广东脉络能源科技有限公司 2024-07-09 CN claimed
CN-117915957-A Compositions and methods for modulating mRNA splicing 恩特拉达治疗学股份有限公司 2024-04-19 CN claimed
WO-2012125973-A2 POTENT AND SELECTIVE INHIBITORS OF NAV1.3 AND NAV1.7 AMGEN INC. (US) 2012-09-20 WO claimed
CN-102442921-A 15N/19Preparation method of F double-labeled unnatural amino acid and intermediate thereof USTC UNIV SCIENCE TECH CN 2012-05-09 CN claimed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US claimed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US claimed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO 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-6943157-B2 Reverse-turn mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2005-09-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 GRB2 1612/4885PTPN1 2752/4885SLC7A5 258/4885
US-20250325672-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS ACE2, SARS1, TMPRSS2 GRB2 783/4885PTPN1 1761/4885SLC7A5 2440/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 GRB2 1920/4885PTPN1 1969/4885SLC7A5 576/4885
US-20250186630-A1 FIBROBLAST ACTIVATION PROTEIN TARGETING PEPTIDES FAP, FIBP, TPX2 GRB2 750/4885PTPN1 709/4885SLC7A5 938/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.