SCHEMBL8639795

SCHEMBL8639795

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 6/20 0.50
PDPK1 O15530 4/20 0.49
RXRA P19793 2/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MALT1 Q9UDY8 1/20 0.41

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
Benzenesulfonamide SCHEMBL7113357 0.94 PTGS2 (0.59) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL8643853 0.92 PTGS2 (0.41) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637647 0.92 PTGS2 (0.41) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8640765 0.91 PTGS1 (0.51) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637675 0.91 PTGS2 (0.43) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8639013 0.91 PTGS2 (0.41) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8641577 0.89 PTGS2 (0.49) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8351386 0.89 PTGS2 (0.49) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8688673 0.89 PTGS2 (0.43) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637361 0.89 PTGS2 (0.39) 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 8 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-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
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