SCHEMBL5375485

SCHEMBL5375485

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.55
PTGS1 P23219 4/20 0.55
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TTK P33981 1/20 0.43
MAPK8 P45983 1/20 0.43
LDHA P00338 1/20 0.43
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK14 Q16539 1/20 0.41
CA7 P43166 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
SCHEMBL5364884 0.91 PTGS2 (0.54) PTGS2PTGS1MAPTSMN1; SMN2CSNK1A1
SCHEMBL5373881 0.90 PTGS2 (0.52) PTGS2PTGS1TTKMAPK8CA9
SCHEMBL5368778 0.89 PTGS2 (0.67) PTGS2PTGS1MAPTCA9CA12
SCHEMBL5377634 0.83 PTGS2 (0.53) PTGS2PTGS1CA9CA12CA1
SCHEMBL5377112 0.82 PTGS1 (0.54) PTGS2PTGS1CA9CA12CA1
SCHEMBL5373977 0.81 PTGS2 (0.51) PTGS2PTGS1MAPK14
SCHEMBL5368685 0.80 PTGS2 (0.64) PTGS2PTGS1CSNK1A1CSNK1DCSNK1E
SCHEMBL6591824 0.78 PTGS2 (0.63) PTGS2PTGS1MAPTCA9CA12
SCHEMBL5372635 0.76 PTGS2 (0.60) PTGS2PTGS1MAPTCA9CA12
SCHEMBL5371166 0.74 PTGS2 (0.66) PTGS2PTGS1CSNK1A1CSNK1DCSNK1E

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