SCHEMBL5679392

SCHEMBL5679392

CCC(CC)c1ccc(Oc2ccccc2S(=O)(=O)Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.58
PGR P06401 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR5 P51681 1/20 0.35
LMNA P02545 2/20 0.34
FFAR1 O14842 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
GRIA4 P48058 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL5682849 0.87 CASP1 (0.60) CASP1ALDH1A1FFAR1
SCHEMBL5682969 0.84 CASP1 (0.55) CASP1PGRHTTALDH1A1MAPK1
SCHEMBL5680993 0.80 CASP1 (0.47) CASP1L3MBTL1LMNAFFAR1
SCHEMBL6249693 0.79 CASP1 (0.51) CASP1HTTALDH1A1MAPK1L3MBTL1
SCHEMBL11829128 0.78 CASP1 (0.53) CASP1L3MBTL1LMNAFFAR1
SCHEMBL997994 0.78 CASP1 (0.48) CASP1PGRALDH1A1LMNA
SCHEMBL7386055 0.77 TRPV4 (0.46) PGRHTTALDH1A1LMNATRPV4
SCHEMBL926865 0.77 CA12 (0.49) CASP1HTTALDH1A1MAPK1L3MBTL1
SCHEMBL30307015 0.77 TRPV4 (0.46) PGRHTTALDH1A1LMNATRPV4
SCHEMBL5682816 0.75 CASP1 (0.52) CASP1PGRHTTALDH1A1MAPK1

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 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
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