SCHEMBL8639798

SCHEMBL8639798

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.66
PTGS1 P23219 7/20 0.66
PDPK1 O15530 6/20 0.65
RXRA P19793 1/20 0.55
NR1H2 P55055 1/20 0.55
NR1H3 Q13133 1/20 0.55
CYP2C9 P11712 1/20 0.52

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
SCHEMBL8637650 0.92 PTGS2 (0.56) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL9014927 0.92 PTGS2 (0.56) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637676 0.92 PTGS2 (0.56) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8639018 0.91 PTGS2 (0.55) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637585 0.91 PDPK1 (0.69) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL8640768 0.90 PTGS2 (0.67) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL5694290 0.89 PTGS2 (0.65) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL8641581 0.89 PTGS2 (0.65) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8643577 0.89 PTGS2 (0.65) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL8637364 0.89 PTGS2 (0.53) 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 10 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-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed
US-11246940-B2 Peptides whose uptake in cells is controllable THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-15 US disclosed
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-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US disclosed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP 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