SCHEMBL8640369

SCHEMBL8640369

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1c(F)c(F)cc(F)c1F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
PTGS1 P23219 4/20 0.39
PDPK1 O15530 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
KAT6A Q92794 1/20 0.34

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
SCHEMBL8638757 0.93 PTGS2 (0.38) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8637763 0.93 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4ALDH1A1
SCHEMBL8639140 0.92 PTGS2 (0.38) PTGS2PTGS1PDPK1FFAR4ALDH1A1
SCHEMBL8640035 0.89 PTGS2 (0.42) PTGS2PTGS1PDPK1FFAR4ALDH1A1
SCHEMBL8635943 0.88 PTGS2 (0.41) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8637342 0.88 PTGS2 (0.39) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8641750 0.86 PTGS2 (0.42) PTGS2PTGS1PDPK1FFAR4ALDH1A1
SCHEMBL8637248 0.86 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4SLC40A1
SCHEMBL8639321 0.85 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4ALDH1A1
SCHEMBL8644144 0.84 PTGS2 (0.53) PTGS2PTGS1PDPK1FFAR4KAT6A

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-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed