SCHEMBL2639481

SCHEMBL2639481

NC(=O)c1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.52
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
PTGS2 P35354 7/20 0.48
BCAT2 O15382 1/20 0.46

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
SCHEMBL209054 0.86 ALDH1A1 (0.61) F10ALDH1A1HPGDPTGS2
SCHEMBL27923488 0.84 PTGS2 (0.51) F10ALDH1A1HPGDPTGS2
SCHEMBL1678414 0.84 F10 (0.49) F10ALDH1A1HPGDPTGS2
SCHEMBL1627878 0.82 HPGD (0.54) F10ALDH1A1HPGDPTGS2
SCHEMBL76558 0.82 F10 (0.58) F10PTGS2
SCHEMBL1679537 0.81 F10 (0.52) F10PTGS2
SCHEMBL28407706 0.81 F10 (0.59) F10PTGS2
SCHEMBL28408781 0.81 F10 (0.50) F10ALDH1A1HPGDPTGS2
SCHEMBL1626763 0.81 ALDH1A1 (0.54) F10ALDH1A1HPGDPTGS2
SCHEMBL19086541 0.80 PTGS2 (0.64) F10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4705015-B2 2011-06-22 JP claimed
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US claimed
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US claimed
EP-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP claimed
EP-2076511-A1 NOVEL HETEROARYL CARBOXAMIDES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed
US-7429581-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-09-30 US claimed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO claimed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP claimed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US claimed
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-25 US claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
WO-2004101556-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-1479675-A1 Indazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1479676-A1 Benzimidazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US claimed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 WO claimed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 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 (4 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-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors F11, F5, F12 F10 11/4885ALDH1A1 2456/4885HPGD 1025/4885
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 F10 11/4885ALDH1A1 1259/4885HPGD 1564/4885
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES F12, F11, F2 F10 4/4885ALDH1A1 2514/4885HPGD 2887/4885
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors F11, F12, F5 F10 14/4885ALDH1A1 1259/4885HPGD 678/4885

“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.