SCHEMBL5680708

SCHEMBL5680708

Cc1ccccc1-c1ccccc1S(=O)(=O)NC(C=O)CC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.75
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ITGAV P06756 1/20 0.41
MME P08473 1/20 0.39
CASP3 P42574 2/20 0.38

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
SCHEMBL5678920 0.85 CASP1 (0.84) CASP1ATML3MBTL1
SCHEMBL5681240 0.83 CASP1 (1.00) CASP1ATML3MBTL1SLC1A3SLC1A2
SCHEMBL5681184 0.83 CASP1 (1.00) CASP1SLC1A3SLC1A2SLC1A1CASP3
SCHEMBL5681328 0.82 CASP1 (0.78) CASP1ATML3MBTL1MMECASP3
SCHEMBL5678978 0.82 CASP1 (0.70) CASP1
SCHEMBL8413963 0.81 CASP1 (0.68) CASP1ATML3MBTL1ITGAVMME
SCHEMBL5680722 0.80 CASP1 (0.67) CASP1
SCHEMBL5680756 0.79 CASP1 (0.66) CASP1
SCHEMBL8520124 0.79 CASP1 (0.91) CASP1SLC1A3SLC1A2SLC1A1CASP3
SCHEMBL5678977 0.79 CASP1 (0.71) CASP1

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 5 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
US-6083981-A USEFUL FOR TREATMENT OF STROKE, INFLAMMATORY DISEASES, SEPTIC SHOCK, REPERFUSION INJURY, ALZHEIMER'S DISEASE, SHIGELLOSIS WARNER-LAMBERT COMPANY (US) 2000-07-04 US claimed
EP-0932600-B1 SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS WARNER LAMBERT CO (US) 2006-02-08 EP disclosed
US-6083981-A USEFUL FOR TREATMENT OF STROKE, INFLAMMATORY DISEASES, SEPTIC SHOCK, REPERFUSION INJURY, ALZHEIMER'S DISEASE, SHIGELLOSIS WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-6054487-A ADMINISTERING AN INTERLEUKIN-ONE BETA CONVERTING ENZYME SUFFICIENT TO INHIBIT PRODUCTION OF GAMMA-INTERFERON BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed