Roxifiban

Roxifiban

SCHEMBL919675

CC(=O)O.CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)OC

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Roxifiban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.95
ITGA2B P08514 20/20 0.95

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
Roxifiban SCHEMBL24336949 0.98 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL344302 0.98 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7213400 0.93 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL50632 0.91 ITGB3 (0.86) ITGB3ITGA2B
SCHEMBL7220986 0.89 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7413714 0.88 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7407564 0.88 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7229682 0.85 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7214664 0.84 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL7217243 0.84 ITGB3 (0.76) 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 348 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363668-B1 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORP (US) 2007-08-15 EP claimed
EP-1810693-A2 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions Shering Corporation (US) 2007-07-25 EP claimed
EP-1785144-A2 Combinations of bile acids sequestrant(s) and sterol absorption inhibitor(s) and treatments for vascular indications Shering Corporation (US) 2007-05-16 EP claimed
CN-1658903-A Combinations of peroxisome proliferator-activated receptor (ppar) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORP (US) 2005-08-24 CN claimed
EP-1377309-A1 COMBINATIONS OF HEPARIN COFACTOR II AGONIST AND PLATELET IIB/IIIA ANTAGONIST, AND USES THEREOF IntimaX Corporation (US) 2004-01-07 EP claimed
EP-1353694-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS Schering Corporation (US) 2003-10-22 EP claimed
US-6624311-B2 Forming roxifiban BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-09-23 US claimed
US-6518244-B2 Combinations of heparin cofactor II agonist and platelet IIb/IIIa antagonist, and uses thereof INTIMAX CORPORATION 2003-02-11 US claimed
EP-0939900-A4 DETECTION OF ANTAGONIST-DEPENDENT GPIIb/IIIa RECEPTOR ANTIBODIES MERCK & CO INC (US) 2003-01-08 EP claimed
US-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester BRITOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-10-31 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
US-6136804-A ANTIISCHEMIC AGENTS, ANTITHROMBOTIC AGENTS, THROMBOTIC OCCLUSION AND ANTIPLATELET AGENT MERCK & CO., INC. (US) 2000-10-24 US claimed
EP-1034256-A1 ANTICOAGULANT TEST Merck & Co., Inc. (US) 2000-09-13 EP claimed
US-6063584-A Anticoagulant test MERCK & CO., INC. (US) 2000-05-16 US claimed
US-5978698-A Angioplasty procedure using nonionic contrast media MERCK & CO., INC. (US) 1999-11-02 US claimed
EP-0939900-A1 DETECTION OF ANTAGONIST-DEPENDENT GPIIb/IIIa RECEPTOR ANTIBODIES Merck & Co., Inc. (US) 1999-09-08 EP claimed
EP-0914099-A1 ORAL COATED ACTIVE DRUGS Merck & Co., Inc. (US) 1999-05-12 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-1997037641-A1 ORAL COATED ACTIVE DRUGS MERCK & CO., INC. (US) 1997-10-16 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-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester ANPEP, DAO, DNPEP ITGB3 128/4885ITGA2B 106/4885

“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.