SCHEMBL5165495

SCHEMBL5165495

C#CC(CC(=O)O)NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 1.00
ITGA2B P08514 17/20 1.00

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
SCHEMBL7080314 1.00 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7346085 0.88 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL7346090 0.85 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7346663 0.85 ITGB3 (0.77) ITGB3ITGA2B
Xemilofiban SCHEMBL50663 0.85 ITGB3 (1.00) ITGB3ITGA2B
Xemilofiban SCHEMBL5163315 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7544623 0.84 ITGB3 (0.79) ITGB3ITGA2B
Xemilofiban SCHEMBL609244 0.84 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7345475 0.84 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7376276 0.83 ITGB3 (1.00) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP claimed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP claimed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP claimed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US claimed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP claimed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO claimed
US-8313729-B2 Integrated photoactive small molecules and uses thereof Medibeacon, LLC (US) 2012-11-20 US disclosed
US-8313729-B2 Integrated photoactive small molecules and uses thereof Medibeacon, LLC (US) 2012-11-20 US disclosed
US-20100105899-A1 Integrated Photoactive Small Molecules and Uses Thereof MEDIBEACON, INC. 2010-04-29 US disclosed
US-20100105899-A1 Integrated Photoactive Small Molecules and Uses Thereof MEDIBEACON, INC. 2010-04-29 US disclosed
WO-2008108944-A2 INTEGRATED PHOTOACTIVE SMALL MOLECULES AND USES THEREOF MALLINCKRODT INC. (US) 2008-09-12 WO disclosed
EP-1061908-A4 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO INC (US) 2007-01-24 EP disclosed
EP-1068172-A4 PLATELET AGGREGATION INHIBITION USING LOW MOLECULAR WEIGHT HEPARIN IN COMBINATION WITH A GP IIb/IIIa ANTAGONIST MERCK & CO INC (US) 2006-09-27 EP disclosed
US-5631399-A MULTISTAGE SYNTHESIS USING TRIMETHYLSILYLACETYLENE WITH BUTYLLITHIUM AND FORMYLMORPHOLINE, THEN ACID HYDROLYSIS G. D. SEARLE & CO. (US) 1997-05-20 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
US-5536869-A Process for the preparation of ethyl 3S-[4-[[4-(aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-4-pentynoate G. D. SEARLE & CO. (US) 1996-07-16 US disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO 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 (1 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-20100105899-A1 Integrated Photoactive Small Molecules and Uses Thereof TYR, UACA, TH ITGB3 4362/4885ITGA2B 4365/4885

“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.