SCHEMBL686180

SCHEMBL686180

NS(=O)(=O)/C=C/c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
F10 P00742 13/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
F2 P00734 2/20 0.35
KLKB1 P03952 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL3165155 0.82 PTGS1 (0.45) PTGS1PTGS2F10MAOAMAOB
SCHEMBL3165162 0.82 PTGS1 (0.45) PTGS1PTGS2F10MAOAMAOB
SCHEMBL4627757 0.81 PTGS1 (0.47) PTGS1PTGS2F10MAOAMAOB
SCHEMBL4627759 0.81 PTGS1 (0.47) PTGS1PTGS2F10MAOAMAOB
SCHEMBL13991504 0.77 PTGS1 (0.44) PTGS1PTGS2F10F2KLKB1
SCHEMBL4392175 0.73 PTPN1 (0.49) PTGS1PTGS2F10MAOAMAOB
SCHEMBL4392170 0.73 PTPN1 (0.49) PTGS1PTGS2F10MAOAMAOB
SCHEMBL4932684 0.71 F10 (0.43) PTGS1PTGS2F10
SCHEMBL4932690 0.71 F10 (0.43) PTGS1PTGS2F10
SCHEMBL4061262 0.69 PTGS1 (0.43) PTGS1PTGS2MAOAMAOBF2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-20110033459-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
US-20080279845-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. 2008-11-13 US disclosed
EP-1567519-B1 CRYSTALLINE DERIVATIVES OF 2-(5-CHLOROTHIEN-2-YL)-N-((3S)-1((1S)-1-METHYL-2-MORPHOLIN-4-YL)-2-OXOETHYL)-2-OXOPYRROLIDIN-3-YL)ETHENSULFONAMIDE GLAXO GROUP LTD (GB) 2007-09-19 EP disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2004052878-A2 CRYSTALLINE DERIVATIVE OF 2- (5-CHLOROTHIEN-2-YL)-N- ((3S)-1((1S)-1-METHYL-2-MORPHOLIN-4-YL)-2-OXOETHYL)-2-OXOPYRROLIDIN-3-YL) ETHENSULFONAMIDE GLAXO GROUP LIMITED (GB) 2004-06-24 WO disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 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 (5 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-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 PTGS1 53/4885PTGS2 80/4885F10 192/4885
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 PTGS1 741/4885PTGS2 1284/4885F10 11/4885
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors TFPI, TPSAB1, TFPI2 PTGS1 953/4885PTGS2 1929/4885F10 24/4885
US-20080279845-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR MPL, P2RY4, P2RY1 PTGS1 466/4885PTGS2 819/4885F10 472/4885
US-20110033459-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR MPL, P2RY4, P2RY1 PTGS1 466/4885PTGS2 819/4885F10 472/4885

“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.