SCHEMBL7971869

SCHEMBL7971869

CS(=O)(=O)c1ccc(-c2[nH]ccc2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 1.00
MAPK14 Q16539 3/20 0.57
GCGR P47871 1/20 0.57
MAPK13 O15264 1/20 0.54
RAF1 P04049 1/20 0.54
MAPK9 P45984 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
TDO2 P48775 1/20 0.54

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
SCHEMBL10733900 1.00 PTGS2 (1.00) PTGS2MAPK14GCGRMAPK13RAF1
SCHEMBL27504944 0.83 PTGS2 (0.70) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL10993716 0.82 MAPK14 (0.78) PTGS2MAPK14GCGRMAPK13RAF1
SCHEMBL8095456 0.80 PTGS2 (0.67) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL6470141 0.78 PTGS2 (0.74) PTGS2
SCHEMBL7395459 0.78 PTGS2 (0.74) PTGS2
SCHEMBL215130 0.78 PTGS2 (1.00) PTGS2
SCHEMBL7981809 0.77 PTGS2 (0.77) PTGS2MAPK14GCGRMAPK13RAF1
SCHEMBL10740403 0.77 PTGS2 (1.00) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL444872 0.76 PTGS2 (0.69) PTGS2

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 6 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
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed
US-4652582-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-03-24 US disclosed
EP-0034798-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-(SUBSTITUTED-THIO)PYRROLES AND THEIR CORRESPONDING SULFOXIDES AND SULFONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-22 EP disclosed
EP-0034798-A2 Antiinflammatory 4,5-diaryl-2-(substituted-thio)pyrroles and their corresponding sulfoxides and sulfones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-02 EP disclosed