SCHEMBL5373977

SCHEMBL5373977

CCOc1cccc(-c2nn3cc(Cl)ccc3c2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.51
PTGS1 P23219 5/20 0.43
MAPK14 Q16539 1/20 0.41

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
SCHEMBL5373881 0.91 PTGS2 (0.52) PTGS2PTGS1MAPK14
SCHEMBL5364884 0.89 PTGS2 (0.54) PTGS2PTGS1MAPK14
SCHEMBL5375485 0.81 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL6591824 0.80 PTGS2 (0.63) PTGS2PTGS1MAPK14
SCHEMBL5368685 0.78 PTGS2 (0.64) PTGS2PTGS1MAPK14
SCHEMBL6595243 0.73 MAPK14 (0.53) PTGS2PTGS1MAPK14
SCHEMBL5371166 0.72 PTGS2 (0.66) PTGS2PTGS1MAPK14
SCHEMBL6592574 0.71 MAPK14 (0.53) PTGS2PTGS1MAPK14
SCHEMBL5369160 0.70 PTGS1 (0.68) PTGS2PTGS1MAPK14
SCHEMBL5373901 0.69 PTGS2 (0.59) PTGS2PTGS1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US claimed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP claimed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP claimed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO claimed
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US disclosed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP disclosed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP disclosed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO disclosed