SCHEMBL5680993

SCHEMBL5680993

CCCCC(C)c1ccc(Oc2ccccc2S(=O)(=O)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.47
MRGPRX1 Q96LB2 1/20 0.35
FFAR1 O14842 1/20 0.34
LTA4H P09960 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 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) CASP1FFAR1
SCHEMBL5682969 0.81 CASP1 (0.55) CASP1FFAR1L3MBTL1
SCHEMBL5679392 0.80 CASP1 (0.58) CASP1FFAR1L3MBTL1LMNA
SCHEMBL8412424 0.78 CA2 (0.43)
SCHEMBL5682805 0.76 CASP1 (0.69) CASP1
SCHEMBL11829128 0.75 CASP1 (0.53) CASP1FFAR1L3MBTL1MMP13LMNA
Ammonia Solution, Strong SCHEMBL6014529 0.75 LTA4H (0.56) LTA4HLMNAMAPT
SCHEMBL995712 0.73 CYP1A2 (0.51) LTA4HPOLBATML3MBTL1LMNA
SCHEMBL6249693 0.73 CASP1 (0.51) CASP1MRGPRX1FFAR1L3MBTL1LMNA
SCHEMBL997994 0.73 CASP1 (0.48) CASP1LTA4HPOLBLMNAMAPT

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 3 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