SCHEMBL8640531

SCHEMBL8640531

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
PDPK1 O15530 2/20 0.42
PTGS1 P23219 5/20 0.41
FFAR4 Q5NUL3 2/20 0.41
RPA1 P27694 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
KAT6A Q92794 1/20 0.40
ALPI P09923 1/20 0.39
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL7868758 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8640765 0.88 PTGS1 (0.51) PTGS2PDPK1PTGS1FFAR4
SCHEMBL8351386 0.86 PTGS2 (0.49) PTGS2PDPK1PTGS1
SCHEMBL8641577 0.86 PTGS2 (0.49) PTGS2PDPK1PTGS1
SCHEMBL8640008 0.86 PTGS2 (0.55) PTGS2PDPK1PTGS1KAT6AALPI
SCHEMBL8639795 0.85 PTGS2 (0.50) PTGS2PDPK1PTGS1MALT1
SCHEMBL8643571 0.85 PTGS2 (0.51) PTGS2PDPK1PTGS1FFAR4
SCHEMBL6514097 0.85 PTGS2 (0.50) PTGS2PDPK1PTGS1
SCHEMBL8638817 0.85 PTGS2 (0.46) PTGS2PDPK1PTGS1
SCHEMBL7135445 0.85 PTGS2 (0.51) PTGS2PDPK1PTGS1

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