SCHEMBL5163341

SCHEMBL5163341

C#CC(CC(=O)OCC)NC(=O)CCC(=O)Nc1ccc(C=NN)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.70
ITGA2B P08514 6/20 0.70
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7534287 1.00 ITGB3 (0.70) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7351423 0.90 ITGB3 (0.56) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7346587 0.87 ITGB3 (0.54) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7353843 0.87 ITGB3 (0.54) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7346668 0.86 ITGB3 (0.54) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL5165511 0.86 ITGB3 (0.65) ITGB3ITGA2BMAPTHTTMEN1
SCHEMBL7352610 0.86 ITGB3 (0.65) ITGB3ITGA2BMAPTHTTMEN1
SCHEMBL7348958 0.86 ITGB3 (0.51) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7355453 0.85 ITGB3 (0.56) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7346612 0.85 ITGB3 (0.50) ITGB3ITGA2BLMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061908-A4 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO INC (US) 2007-01-24 EP claimed
EP-0946178-A4 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIOVASCULAR DISEASE MERCK & CO INC (US) 2003-05-07 EP claimed
EP-0939900-A4 DETECTION OF ANTAGONIST-DEPENDENT GPIIb/IIIa RECEPTOR ANTIBODIES MERCK & CO INC (US) 2003-01-08 EP claimed
US-20020009753-A1 Anticoagulant test BEDNAR BOHUMIL (US) 2002-01-24 US claimed
US-20010036913-A1 Combination therapy for reducing the risks associated with cardiovascular disease GOULD ROBERT J (US) 2001-11-01 US claimed
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP claimed
US-6235706-B1 Combination therapy for reducing the risks associated with cardiovascular disease MERCK & CO., INC. 2001-05-22 US claimed
US-6210904-B1 DIAGNOSING FOR RISK OF THROMOCYTOPENIA BY DETECTING ABSENCE OF ASSOCIATION OF MONOCLONAL ANTIBODY WITH GLYCOPROTEIN IIB/IIA RECEPTOR:GLYCOPROTEIN IIB/IIA RECEPTOR ANTAGONIST COMPLEX MERCK & CO., INC. 2001-04-03 US claimed
EP-1061908-A1 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS Merck & Co., Inc. (US) 2000-12-27 EP claimed
US-6136804-A ANTIISCHEMIC AGENTS, ANTITHROMBOTIC AGENTS, THROMBOTIC OCCLUSION AND ANTIPLATELET AGENT MERCK & CO., INC. (US) 2000-10-24 US claimed
WO-1999045913-A1 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO., INC. (US) 1999-09-16 WO claimed
EP-0939900-A1 DETECTION OF ANTAGONIST-DEPENDENT GPIIb/IIIa RECEPTOR ANTIBODIES Merck & Co., Inc. (US) 1999-09-08 EP claimed
WO-1999019463-A1 ANTICOAGULANT TEST MERCK & CO., INC. (US) 1999-04-22 WO claimed
WO-1998022821-A1 DETECTION OF ANTAGONIST-DEPENDENT GPIIb/IIIa RECEPTOR ANTIBODIES MERCK & CO., INC. (US) 1998-05-28 WO claimed
WO-1998011896-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIOVASCULAR DISEASE MERCK & CO., INC. (US) 1998-03-26 WO claimed
WO-1997035579-A1 A METHOD FOR INHIBITING CLOT FORMATION MERCK & CO., INC. (US) 1997-10-02 WO claimed
WO-1997035615-A1 COMPOSITIONS AND METHODS FOR INHIBITING CLOT FORMATION MERCK & CO., INC. (US) 1997-10-02 WO 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

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-20010036913-A1 Combination therapy for reducing the risks associated with cardiovascular disease HMGCR, PCSK9, APOB ITGB3 699/4885ITGA2B 740/4885LMNA 2737/4885

“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.