SCHEMBL8637258

SCHEMBL8637258

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.69
PTGS1 P23219 4/20 0.55
PDPK1 O15530 3/20 0.53
RXRA P19793 2/20 0.53
NR1H2 P55055 2/20 0.53
NR1H3 Q13133 2/20 0.53

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
SCHEMBL8643945 0.91 PTGS2 (0.56) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8640768 0.89 PTGS2 (0.67) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL5694290 0.88 PTGS2 (0.65) PTGS2PTGS1PDPK1
SCHEMBL8641046 0.88 PTGS2 (0.64) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8638534 0.88 PTGS2 (0.69) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8635946 0.85 PTGS2 (0.53) PTGS2PTGS1PDPK1
SCHEMBL8641221 0.85 PTGS2 (0.56) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8693643 0.85 PTGS2 (0.54) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637585 0.85 PDPK1 (0.69) PTGS2PTGS1PDPK1
SCHEMBL8640762 0.84 PDPK1 (0.53) 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 6 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 claimed
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