SCHEMBL5373852

SCHEMBL5373852

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
PTGS2 P35354 6/20 0.44
PTGS1 P23219 4/20 0.44
TRPM8 Q7Z2W7 2/20 0.37
TRPA1 O75762 1/20 0.36
MAT2A P31153 1/20 0.35
PTPN1 P18031 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
PTGER1 P34995 1/20 0.33

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
SCHEMBL5368559 0.90 MAPK14 (0.47) MAPK14PTGS2PTGS1TRPM8TRPA1
SCHEMBL5373901 0.85 PTGS2 (0.59) MAPK14PTGS2PTGS1
SCHEMBL6594766 0.84 MAPK14 (0.49) MAPK14PTGS2PTGS1TRPA1MAT2A
SCHEMBL5366953 0.83 MAPK14 (0.54) MAPK14PTGS2PTGS1
SCHEMBL5377150 0.83 MAPK14 (0.48) MAPK14PTGS2PTGS1TRPA1MAT2A
SCHEMBL5368804 0.82 MAPK14 (0.47) MAPK14PTGS2PTGS1
SCHEMBL5364997 0.81 MAPK14 (0.46) MAPK14PTGS2PTGS1TRPA1MAT2A
SCHEMBL5365209 0.81 MAPK14 (0.46) MAPK14PTGS2PTGS1TRPA1MAT2A
SCHEMBL5370333 0.80 MAPK14 (0.45) MAPK14PTGS2PTGS1TRPA1
SCHEMBL5365258 0.80 MAPK14 (0.43) MAPK14PTGS2PTGS1TRPA1MAT2A

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 3 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
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US disclosed