SCHEMBL609722

SCHEMBL609722

Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2cc3n(n2)CCCN(CCC2CCNCC2)C3=O)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 1.00
ITGA2B P08514 19/20 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
SCHEMBL7422991 0.88 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL6441257 0.86 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7842910 0.71 LMNA (0.56) ITGB3ITGA2B
SCHEMBL7752399 0.71 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL6974515 0.71 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950195 0.70 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7416960 0.70 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL7595590 0.69 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7421411 0.68 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7472282 0.66 ITGB3 (0.71) 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 169 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
US-6623981-B2 Detecting antibodies which bind integrin bound modulators; obtain sample, incubate with modulators and antibodies, form complexes, screen for bound complex BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US 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-20020132276-A1 FACS method for detecton of GPIIb/IIIa inhibitor dependent activators in plasma samples BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-19 US claimed
US-20020081632-A1 Assays to assess conformational changes of integrins induced by ligand binding based on electrophoretic mobility BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-20020081624-A1 DETECTION OF PATIENTS AT RISK FOR DEVELOPING INTEGRIN ANTAGONIST/ AGONIST MEDIATED DISEASE STATES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US 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
US-6251852-B1 SUCH AS ACUTE CORONARY ISCHEMIC SYNDROME AND Q-WAVE MYOCARDIAL INFARCTION, BY ADMINISTERING A 3-HYDROXY-3-METHYLGLUTARYL COENZYME A (HMG-COA) REDUCTASE INHIBITOR IN COMBINATION WITH A PLATELET AGGREGATION INHIBITOR MERCK & CO., INC. 2001-06-26 US claimed
US-5978698-A Angioplasty procedure using nonionic contrast media MERCK & CO., INC. (US) 1999-11-02 US claimed
EP-0946178-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIOVASCULAR DISEASE Merck & Co., Inc. (US) 1999-10-06 EP 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-1999038014-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-29 WO 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-1997035615-A1 COMPOSITIONS AND METHODS FOR INHIBITING CLOT FORMATION MERCK & CO., INC. (US) 1997-10-02 WO claimed
WO-1997035579-A1 A METHOD FOR INHIBITING CLOT FORMATION MERCK & CO., INC. (US) 1997-10-02 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 740/4885

“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.