SCHEMBL120595

SCHEMBL120595

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.40
ABCB1 P08183 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL29633817 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL30510296 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL29398902 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL29400893 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL120592 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL118926 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL30688517 0.95 ITGB3 (0.44) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25182226 0.93 ITGB3 (0.42) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25182320 0.93 ITGB3 (0.42) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25356271 0.93 PPARG (0.43) ITGB3ITGA2BFABP5FABP7PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285592-A Preparation method of cyclohexalipopeptides natural product Cladoamide B 哈尔滨工业大学(深圳) 2023-12-26 CN claimed
CN-117285602-A Preparation method of depsipeptide natural product Isaridin A 哈尔滨工业大学(深圳) 2023-12-26 CN claimed
CN-115626951-A CladoamideA preparation method 哈尔滨工业大学(深圳) 2023-01-20 CN claimed
CN-115626951-B Preparation method of Cladoamide A 哈尔滨工业大学(深圳) 2026-03-24 CN disclosed
US-12415835-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-16 US disclosed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-07-18 US disclosed
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-07-18 US disclosed
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 US disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
US-5783170-A Peptide-metal chelate conjugates DIATIDE, INC. (US) 1998-07-21 US disclosed
EP-0850238-A1 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA, INC. (US) 1998-07-01 EP disclosed
EP-0759786-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1997-03-05 EP disclosed
WO-1997001560-A1 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA, INC. (US) 1997-01-16 WO disclosed
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
WO-1995031221-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1995-11-23 WO disclosed
US-5296608-A Intermediates for analogs of tyrosine sulfate or tyrosine phosphate containing peptides HOFFMAN-LA ROCHE INC. (US) 1994-03-22 US disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP disclosed

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

For each of this compound's patents that has machine-readable text (5 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS ITGB3 4817/4885ITGA2B 4589/4885FABP5 4703/4885
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT KRAS, G3BP1, G3BP2 ITGB3 4367/4885ITGA2B 3400/4885FABP5 1054/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R ITGB3 4288/4885ITGA2B 4447/4885FABP5 2565/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS ITGB3 4650/4885ITGA2B 4792/4885FABP5 4026/4885
US-12415835-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R ITGB3 4288/4885ITGA2B 4447/4885FABP5 2565/4885

“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.