SCHEMBL8637137

SCHEMBL8637137

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1cc(Cl)c(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
PTGS2 P35354 11/20 0.41
PTGS1 P23219 6/20 0.41
PDPK1 O15530 4/20 0.40

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
SCHEMBL8637575 0.91 PTGS2 (0.52) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8689331 0.89 PTGS2 (0.49) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8640765 0.89 PTGS1 (0.51) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8688673 0.89 PTGS2 (0.43) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8639795 0.88 PTGS2 (0.50) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8644053 0.88 PTGS2 (0.41) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8639321 0.88 PTGS2 (0.40) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8692172 0.88 RXRA (0.44) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8643700 0.87 PTGS2 (0.42) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8643941 0.86 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 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