SCHEMBL8637248

SCHEMBL8637248

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1cc(F)c(F)c(F)c1F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.40
PTGS1 P23219 6/20 0.40
PDPK1 O15530 3/20 0.36
FFAR4 Q5NUL3 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KAT6A Q92794 1/20 0.34
F10 P00742 1/20 0.33

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
SCHEMBL8635956 0.91 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4
SCHEMBL8641750 0.89 PTGS2 (0.42) PTGS2PTGS1PDPK1FFAR4
SCHEMBL8644144 0.87 PTGS2 (0.53) PTGS2PTGS1PDPK1FFAR4KAT6A
SCHEMBL8638757 0.86 PTGS2 (0.38) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8639886 0.86 PTGS2 (0.45) PTGS2PTGS1PDPK1KAT6AF10
SCHEMBL8635943 0.86 PTGS2 (0.41) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8640369 0.86 PTGS2 (0.39) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8637763 0.85 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4KAT6A
SCHEMBL8635867 0.85 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8640824 0.84 PTGS2 (0.42) 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 4 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