SCHEMBL5373901

SCHEMBL5373901

CS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.59
PTGS1 P23219 3/20 0.59
MAPK14 Q16539 1/20 0.54

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
SCHEMBL5366953 0.90 MAPK14 (0.54) PTGS2PTGS1MAPK14
SCHEMBL5365522 0.88 MAPK14 (0.57) PTGS2PTGS1MAPK14
SCHEMBL5377681 0.88 MAPK14 (0.69) PTGS2MAPK14
SCHEMBL5371166 0.86 PTGS2 (0.66) PTGS2PTGS1MAPK14
SCHEMBL5377150 0.86 MAPK14 (0.48) PTGS2PTGS1MAPK14
SCHEMBL5373852 0.85 MAPK14 (0.48) PTGS2PTGS1MAPK14
SCHEMBL6594766 0.85 MAPK14 (0.49) PTGS2PTGS1MAPK14
SCHEMBL5368559 0.84 MAPK14 (0.47) PTGS2PTGS1MAPK14
SCHEMBL5365209 0.84 MAPK14 (0.46) PTGS2PTGS1MAPK14
SCHEMBL5364997 0.84 MAPK14 (0.46) 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