SCHEMBL8520343

SCHEMBL8520343

CC(C)c1cccc(Oc2ccccc2S(=O)(=O)NC(=O)CCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.65
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.41
P2RX4 Q99571 1/20 0.41
FFAR1 O14842 1/20 0.40
ICMT O60725 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
SCHEMBL8519018 0.83 CASP1 (0.68) CASP1
SCHEMBL5682936 0.81 CASP1 (0.73) CASP1
SCHEMBL8520340 0.79 CASP1 (0.74) CASP1ICMT
SCHEMBL7744231 0.77 CASP1 (0.51) CASP1L3MBTL1ICMT
SCHEMBL12994829 0.71 CASP1 (0.60) CASP1ICMT
SCHEMBL6279917 0.70 SLC1A3 (0.50) CASP1TDP1L3MBTL1
SCHEMBL5682833 0.68 CASP1 (0.74) CASP1
SCHEMBL5679376 0.67 CASP1 (0.72) CASP1
SCHEMBL11141447 0.67 PTGS1 (0.65) PTGS1FFAR1
SCHEMBL13255684 0.67 CASP1 (0.46) CASP1PTGS1

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-A2 SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1$g(b) CONVERTING ENZYME INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998016504-A2 SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed