SCHEMBL5364997

SCHEMBL5364997

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
PTGS2 P35354 4/20 0.43
NR4A2 P43354 1/20 0.43
PTGS1 P23219 1/20 0.42
PPARG P37231 1/20 0.38
TRPA1 O75762 1/20 0.37
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
MAT2A P31153 1/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
CHRNA7 P36544 1/20 0.35
SCN9A Q15858 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
ICMT O60725 1/20 0.35

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
SCHEMBL5373578 0.92 MAPK14 (0.44) MAPK14PTGS2NR4A2PTGS1PPARG
SCHEMBL5372589 0.92 MAPK14 (0.46) MAPK14PTGS2PTGS1PPARGTRPA1
SCHEMBL5365258 0.91 MAPK14 (0.43) MAPK14PTGS2NR4A2PTGS1PPARG
SCHEMBL5367411 0.91 MAPK14 (0.44) MAPK14PTGS2PTGS1PPARGTRPA1
SCHEMBL5377150 0.91 MAPK14 (0.48) MAPK14PTGS2PTGS1PPARGTRPA1
SCHEMBL5370333 0.90 MAPK14 (0.45) MAPK14PTGS2NR4A2PTGS1PPARG
SCHEMBL6594766 0.90 MAPK14 (0.49) MAPK14PTGS2PTGS1PPARGTRPA1
SCHEMBL5368788 0.90 MAPK14 (0.43) MAPK14PTGS2PTGS1PPARGTRPA1
SCHEMBL5369140 0.90 MAPK14 (0.43) MAPK14PTGS2NR4A2PTGS1PPARG
SCHEMBL5365209 0.88 MAPK14 (0.46) MAPK14PTGS2PTGS1PPARGTRPA1

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