SCHEMBL5680759

SCHEMBL5680759

O=CC(CC(=O)O)NS(=O)(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.65
TTR P02766 1/20 0.40
FABP4 P15090 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK14 Q16539 1/20 0.40
NR4A1 P22736 1/20 0.39
CASP3 P42574 3/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL5683299 0.78 CASP1 (0.82) CASP1ALDH1A1
SCHEMBL5680762 0.78 CASP1 (0.66) CASP1CASP3L3MBTL1ALDH1A1ATM
SCHEMBL5678970 0.77 CASP1 (0.56) CASP1CASP3CA1CA2KDM4E
SCHEMBL5683133 0.77 CASP1 (0.65) CASP1CASP3L3MBTL1
SCHEMBL5682781 0.76 CASP1 (0.64) CASP1CASP3L3MBTL1ALDH1A1MAPT
SCHEMBL5679181 0.76 CASP1 (0.64) CASP1CA1CA2ALDH1A1GAA
SCHEMBL5682688 0.76 CASP1 (0.64) CASP1CASP3ALDH1A1
SCHEMBL5682795 0.76 CASP1 (0.77) CASP1
SCHEMBL5680708 0.76 CASP1 (0.75) CASP1CASP3L3MBTL1ATM
SCHEMBL5681184 0.74 CASP1 (1.00) CASP1CASP3KDM4EALDH1A1TDP1

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-0932600-B1 SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS WARNER LAMBERT CO (US) 2006-02-08 EP claimed
EP-0932600-B1 SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS WARNER LAMBERT CO (US) 2006-02-08 EP disclosed