SCHEMBL8689331

SCHEMBL8689331

COc1c(Cl)cc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.49
RXRA P19793 3/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
PTGS1 P23219 6/20 0.40
ACLY P53396 4/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8688800 0.94 PTGS2 (0.58) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL8637137 0.89 RXRA (0.43) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL8689085 0.88 PTGS2 (0.44) PTGS2PTGS1MAPT
SCHEMBL8640692 0.88 PTGS2 (0.48) PTGS2PTGS1MAPT
SCHEMBL8689324 0.88 PTGS2 (0.45) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL8637575 0.84 PTGS2 (0.52) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL8694036 0.84 PTGS2 (0.56) PTGS2PTGS1ACLY
SCHEMBL8692172 0.84 RXRA (0.44) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL7868758 0.84 PTGS2 (0.53) PTGS2PTGS1MAPT
SCHEMBL8640765 0.83 PTGS1 (0.51) PTGS2RXRANR1H2NR1H3PTGS1

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-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