SCHEMBL7550702

SCHEMBL7550702

COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2cc(Cl)c(OC)c(Cl)c2)c1Cl

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.75
PTGS1 P23219 9/20 0.75
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
NPBWR1 P48145 1/20 0.45

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
SCHEMBL6343569 0.92 PTGS2 (0.69) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8315280 0.89 PTGS2 (0.74) PTGS2PTGS1SMN1; SMN2
SCHEMBL8317861 0.86 PTGS2 (1.00) PTGS2PTGS1SMN1; SMN2CA12CA1
SCHEMBL8317359 0.86 PTGS2 (0.83) PTGS2PTGS1SMN1; SMN2CA12CA1
SCHEMBL6338963 0.84 PTGS2 (0.56) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8317163 0.84 PTGS2 (0.84) PTGS2PTGS1SMN1; SMN2CA12CA1
SCHEMBL7550669 0.84 PTGS2 (0.73) PTGS2PTGS1SMN1; SMN2CA12CA1
SCHEMBL6338962 0.82 SMN1; SMN2 (0.76) PTGS2PTGS1SMN1; SMN2CA9
SCHEMBL6339300 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6353925 0.81 PTGS2 (0.69) PTGS2PTGS1CA1CA2CA9

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-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 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