SCHEMBL8639293

SCHEMBL8639293

Cc1ccccc1-c1cc(C(F)(F)F)nn1NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PTGS1 P23219 8/20 0.54
SDHB P21912 1/20 0.43
PTGES O14684 1/20 0.40
PDPK1 O15530 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL8637389 0.90 PTGS2 (0.53) PTGS2PTGS1PTGESPDPK1FFAR4
SCHEMBL726057 0.90 PTGES (0.53) PTGS2PTGS1PTGESPDPK1FFAR4
SCHEMBL8643950 0.89 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8640002 0.88 PTGS2 (0.42) PTGS2PTGS1PDPK1
SCHEMBL8644144 0.86 PTGS2 (0.53) PTGS2PTGS1PDPK1FFAR4
SCHEMBL8641739 0.85 PTGS2 (0.54) PTGS2PTGS1PDPK1
SCHEMBL8640518 0.85 ALDH1A1 (0.42) PTGS2PTGS1PDPK1FFAR4
SCHEMBL8636816 0.85 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8639807 0.85 PTGS2 (0.43) PTGS2PTGS1PTGESPDPK1
SCHEMBL8641750 0.84 PTGS2 (0.42) PTGS2PTGS1PDPK1FFAR4

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-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed