SCHEMBL8315280

SCHEMBL8315280

COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(Cl)c2)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.74
PTGS1 P23219 13/20 0.74
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6353925 0.92 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7550669 0.91 PTGS2 (0.73) PTGS2PTGS1SMN1; SMN2
SCHEMBL7550702 0.89 PTGS2 (0.75) PTGS2PTGS1SMN1; SMN2
SCHEMBL8317861 0.85 PTGS2 (1.00) PTGS2PTGS1SMN1; SMN2
SCHEMBL8317163 0.83 PTGS2 (0.84) PTGS2PTGS1SMN1; SMN2
SCHEMBL6342176 0.83 PTGS2 (0.67) PTGS2PTGS1SMN1; SMN2
SCHEMBL8317359 0.83 PTGS2 (0.83) PTGS2PTGS1SMN1; SMN2
SCHEMBL6343569 0.81 PTGS2 (0.69) PTGS2PTGS1SMN1; SMN2
SCHEMBL6344192 0.79 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL27433892 0.78 PTGS2 (0.45) PTGS2PTGS1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 EP claimed
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