SCHEMBL5372589

SCHEMBL5372589

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
PPARG P37231 3/20 0.36
TRPA1 O75762 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
ICMT O60725 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
MAT2A P31153 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL5364997 0.92 MAPK14 (0.46) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5370333 0.90 MAPK14 (0.45) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL6594766 0.90 MAPK14 (0.49) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5367411 0.89 MAPK14 (0.44) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5377150 0.89 MAPK14 (0.48) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5373578 0.89 MAPK14 (0.44) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5368788 0.88 MAPK14 (0.43) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5369140 0.88 MAPK14 (0.43) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5365258 0.88 MAPK14 (0.43) MAPK14PTGS2PTGS1RAF1BRAF
SCHEMBL5368804 0.87 MAPK14 (0.47) MAPK14PTGS2PTGS1PPARGBCL2L1

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