SCHEMBL8637342

SCHEMBL8637342

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1c(F)cc(F)cc1F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.39
PTGS1 P23219 7/20 0.39
PDPK1 O15530 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL8640035 0.91 PTGS2 (0.42) PTGS2PTGS1PDPK1FFAR4RXRA
SCHEMBL8638757 0.88 PTGS2 (0.38) PTGS2PTGS1PDPK1FFAR4RXRA
SCHEMBL8640369 0.88 PTGS2 (0.39) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8637763 0.88 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4
SCHEMBL8635867 0.87 PTGS2 (0.43) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8639140 0.87 PTGS2 (0.38) PTGS2PTGS1PDPK1FFAR4RXRA
SCHEMBL8643941 0.86 PTGS2 (0.42) PTGS2PTGS1PDPK1FFAR4
SCHEMBL8639321 0.85 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4RXRA
SCHEMBL8644144 0.84 PTGS2 (0.53) PTGS2PTGS1PDPK1FFAR4
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 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