SCHEMBL8520124

SCHEMBL8520124

O=CC(CC(=O)O)NS(=O)(=O)c1ccccc1-c1cccc2ccccc12.O=S(=O)(Cl)c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.91
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CAPN1 P07384 1/20 0.35
CASP3 P42574 1/20 0.35
KDM6B O15054 1/20 0.34
FTO Q9C0B1 1/20 0.34

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
SCHEMBL5681184 0.96 CASP1 (1.00) CASP1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL5683299 0.86 CASP1 (0.82) CASP1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL5680708 0.79 CASP1 (0.75) CASP1SLC1A3SLC1A2SLC1A1CASP3
SCHEMBL8410540 0.76 CASP1 (0.59) CASP1CAPN1CASP3
SCHEMBL8413237 0.75 CASP1 (0.89) CASP1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL5678920 0.75 CASP1 (0.84) CASP1
SCHEMBL5682798 0.75 CASP1 (0.63) CASP1
SCHEMBL5681328 0.75 CASP1 (0.78) CASP1CASP3
SCHEMBL8414183 0.75 CASP1 (0.58) CASP1CYP1A2TSHRALDH1A1HPGD
SCHEMBL3909203 0.74 CA1 (0.52) CASP1CYP1A2KDM4E

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