SCHEMBL8640824

SCHEMBL8640824

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1cc(F)ccc1F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.42
PTGS1 P23219 7/20 0.42
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
PDPK1 O15530 1/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8635867 0.92 PTGS2 (0.43) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641750 0.89 PTGS2 (0.42) PTGS2PTGS1PDPK1SMN1; SMN2
SCHEMBL8644144 0.89 PTGS2 (0.53) PTGS2PTGS1PDPK1
SCHEMBL8643950 0.86 PTGS2 (0.43) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8635956 0.86 PTGS2 (0.40) PTGS2PTGS1PDPK1
SCHEMBL8351386 0.84 PTGS2 (0.49) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8637248 0.84 PTGS2 (0.40) PTGS2PTGS1PDPK1
SCHEMBL8639886 0.84 PTGS2 (0.45) PTGS2PTGS1PDPK1
SCHEMBL8639423 0.84 PTGS2 (0.48) PTGS2PTGS1NR3C1TP53MAPT
SCHEMBL8637342 0.83 PTGS2 (0.39) PTGS2PTGS1RXRANR1H2NR1H3

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