SCHEMBL1385685

SCHEMBL1385685

COc1ccc(-n2nc(C)nc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.65
PTGS1 P23219 11/20 0.58
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5206224 0.88 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL3355654 0.88 PTGS2 (0.77) PTGS2PTGS1L3MBTL1
SCHEMBL3355080 0.87 PTGS2 (0.62) PTGS2PTGS1L3MBTL1
SCHEMBL6884932 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6885294 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5202675 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5203365 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6883989 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5201881 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5201916 0.84 PTGS2 (0.64) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4786846-B2 2011-10-05 JP claimed
US-6803380-B1 NON-STEROIDAL ANTIINFLAMMATORY DRUGS LABORATOIRE THERAMEX (MC) 2004-10-12 US claimed
EP-1246809-B1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2003-07-16 EP claimed
EP-1246809-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2002-10-09 EP claimed
WO-2001034577-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2001-05-17 WO claimed
EP-1099695-A1 5-aryl-1H-1,2,4-triazole compounds as inhibitors of cyclooxygenase-2 and pharmaceutical compositions containing them LABORATOIRE THERAMEX S.A. (MC) 2001-05-16 EP claimed
US-6803380-B1 NON-STEROIDAL ANTIINFLAMMATORY DRUGS LABORATOIRE THERAMEX (MC) 2004-10-12 US disclosed
EP-1246809-B1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2003-07-16 EP disclosed
EP-1246809-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2002-10-09 EP disclosed
WO-2001034577-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2001-05-17 WO disclosed
EP-1099695-A1 5-aryl-1H-1,2,4-triazole compounds as inhibitors of cyclooxygenase-2 and pharmaceutical compositions containing them LABORATOIRE THERAMEX S.A. (MC) 2001-05-16 EP disclosed