SCHEMBL8635957

SCHEMBL8635957

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.54
PTGS1 P23219 7/20 0.54
PDPK1 O15530 3/20 0.46
F10 P00742 1/20 0.44

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
SCHEMBL8639888 0.91 PTGS2 (0.59) PTGS2PTGS1PDPK1F10
SCHEMBL8637251 0.91 PTGS2 (0.54) PTGS2PTGS1PDPK1F10
SCHEMBL8639142 0.88 PTGS2 (0.49) PTGS2PTGS1PDPK1F10
SCHEMBL8644146 0.87 PTGS2 (0.69) PTGS2PTGS1PDPK1F10
SCHEMBL8640826 0.87 PTGS2 (0.56) PTGS2PTGS1PDPK1
SCHEMBL8638143 0.87 PTGS2 (0.56) PTGS2PTGS1PDPK1
SCHEMBL8641753 0.86 PTGS2 (0.56) PTGS2PTGS1PDPK1F10
SCHEMBL8639809 0.85 PTGS2 (0.55) PTGS2PTGS1PDPK1
SCHEMBL8638758 0.84 PTGS2 (0.48) PTGS2PTGS1PDPK1F10
SCHEMBL8635946 0.84 PTGS2 (0.53) PTGS2PTGS1PDPK1

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 5 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 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