SCHEMBL8639140

SCHEMBL8639140

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
PTGS1 P23219 4/20 0.38
PDPK1 O15530 3/20 0.37
SLC22A12 Q96S37 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL8640369 0.92 PTGS2 (0.39) PTGS2PTGS1PDPK1SLC22A12FFAR4
SCHEMBL8640035 0.90 PTGS2 (0.42) PTGS2PTGS1PDPK1FFAR4MEN1
SCHEMBL8638757 0.89 PTGS2 (0.38) PTGS2PTGS1PDPK1FFAR4MEN1
SCHEMBL8637763 0.89 PTGS2 (0.40) PTGS2PTGS1PDPK1FFAR4MEN1
SCHEMBL8635956 0.87 PTGS2 (0.40) PTGS2PTGS1PDPK1SLC22A12FFAR4
SCHEMBL8635943 0.87 PTGS2 (0.41) PTGS2PTGS1PDPK1FFAR4RXRA
SCHEMBL8637342 0.87 PTGS2 (0.39) PTGS2PTGS1PDPK1FFAR4RXRA
SCHEMBL8640765 0.85 PTGS1 (0.51) PTGS2PTGS1PDPK1FFAR4ALDH1A1
SCHEMBL8639886 0.85 PTGS2 (0.45) PTGS2PTGS1PDPK1
SCHEMBL8641093 0.84 PTGS2 (0.46) PTGS2PTGS1PDPK1RXRANR1H2

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