SCHEMBL8638930

SCHEMBL8638930

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.46
PTGS1 P23219 9/20 0.46
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RXRA P19793 2/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
PDPK1 O15530 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8689110 0.84 PTGS2 (0.48) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641070 0.84 PTGS2 (0.48) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8691269 0.83 PTGS2 (0.67) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8638168 0.82 PTGS2 (0.68) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641453 0.82 PTGS2 (0.47) PTGS2PTGS1PDPK1
SCHEMBL8639120 0.82 PTGS2 (0.68) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8640768 0.82 PTGS2 (0.67) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8636838 0.82 PTGS2 (0.46) PTGS2PTGS1ALDH1A1
SCHEMBL8981363 0.81 PTGS2 (0.68) PTGS2PTGS1PDPK1
SCHEMBL8638828 0.81 PTGS2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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