SCHEMBL7617403

SCHEMBL7617403

CC(=O)c1cccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(Cl)cc2C(C)C)c1.CC(=O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.66
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
FBP1 P09467 1/20 0.46
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL7141185 0.95 NLRP3 (0.72) NLRP3FBP1ALDH1A1LMNA
SCHEMBL7616971 0.92 NLRP3 (0.66) NLRP3CA12CA1CA2CA9
SCHEMBL7142667 0.92 NLRP3 (0.74) NLRP3CA12CA1CA2CA9
SCHEMBL7614879 0.90 NLRP3 (0.62) NLRP3CA12CA1CA2CA9
SCHEMBL7612300 0.89 NLRP3 (0.66) NLRP3CA12CA1CA2CA9
SCHEMBL7618615 0.88 NLRP3 (0.65) NLRP3CA12CA1CA2CA9
SCHEMBL7616938 0.88 NLRP3 (0.69) NLRP3CA12CA1CA2CA9
SCHEMBL7612024 0.88 NLRP3 (0.69) NLRP3CA12CA1CA2CA9
SCHEMBL7616895 0.87 NLRP3 (0.60) NLRP3CA12CA1CA2CA9
SCHEMBL7146088 0.86 NLRP3 (0.73) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed