SCHEMBL7981809

SCHEMBL7981809

Cc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.77
MAPK14 Q16539 2/20 0.64
MAPK13 O15264 1/20 0.64
RAF1 P04049 1/20 0.64
MAPK9 P45984 1/20 0.64
MAPK12 P53778 1/20 0.64
MAPK11 Q15759 1/20 0.64
GCGR P47871 1/20 0.62
PTGS1 P23219 1/20 0.53

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
SCHEMBL7989315 0.88 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL10733954 0.87 PTGS2 (1.00) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7985964 0.86 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7986643 0.86 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7982199 0.86 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7989398 0.86 PTGS2 (0.58) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7986425 0.86 PTGS2 (0.71) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL10740403 0.85 PTGS2 (1.00) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7983046 0.85 PTGS2 (0.60) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7983135 0.85 PTGS2 (0.57) PTGS2MAPK14MAPK13RAF1MAPK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294568-B1 ANTIINFLAMMATORY AGENTS AND ANTITUMOR AGENTS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENTS AND COX2 ENZYME INHIBITORS NISSIN FOOD PRODUCTS CO., LTD. (JP) 2001-09-25 US disclosed
EP-1048649-A1 5-ARYLPYRROLE DERIVATIVES NISSIN FOOD PRODUCTS CO., LTD. (JP) 2000-11-02 EP disclosed