SCHEMBL5680726

SCHEMBL5680726

Cc1cccc(Oc2ccccc2S(=O)(=O)Cl)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.52
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTR6 P50406 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.39
POLB P06746 2/20 0.37
CRHBP P24387 1/20 0.37
FNTA P49354 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
SCHEMBL5682949 0.88 CASP1 (0.49) CASP1ALDH1A1GAAMEN1KMT2A
SCHEMBL7205989 0.84 TRPV4 (0.42) CASP1ALDH1A1GAAMAPTHTR6
SCHEMBL31387938 0.84 TRPV4 (0.42) CASP1ALDH1A1GAAMAPTHTR6
SCHEMBL5678951 0.79 CASP1 (0.54) CASP1NPSR1TRPV4
SCHEMBL691798 0.78 KMT2A (0.45) ALDH1A1GAAMEN1KMT2AESR1
SCHEMBL30681723 0.78 KMT2A (0.45) ALDH1A1GAAMEN1KMT2AESR1
SCHEMBL4439 0.78 ALDH1A1 (0.44) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL30950298 0.78 ALDH1A1 (0.44) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL1538371 0.78 MAPT (0.54) CASP1ALDH1A1GAAKDM4EMEN1
SCHEMBL29377898 0.78 MAPT (0.54) CASP1ALDH1A1GAAKDM4EMEN1

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