SCHEMBL7162602

SCHEMBL7162602

N#CCCCCCCS(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
HIF1A Q16665 2/20 0.30
EPAS1 Q99814 2/20 0.30

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
SCHEMBL9990991 0.98 NLRP3 (0.42) NLRP3TSHRCYP3A4ALDH1A1TDP1
SCHEMBL1445271 0.90
SCHEMBL3986656 0.79
SCHEMBL5880394 0.79 FAAH (0.35)
SCHEMBL18110382 0.79 FAAH (0.35)
SCHEMBL4107225 0.79 FAAH (0.35)
SCHEMBL5903659 0.79 FAAH (0.35)
SCHEMBL3107944 0.77 NLRP3 (0.46) NLRP3TSHRCYP3A4ALDH1A1TDP1
SCHEMBL21616867 0.76 NLRP3 (0.65) NLRP3TSHRALDH1A1TDP1MAPT
SCHEMBL21616866 0.76 NLRP3 (0.65) NLRP3TSHRALDH1A1TDP1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789578-B1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2003-06-04 EP disclosed
EP-0789578-A4 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2000-09-20 EP disclosed
US-5990083-A Multicatalytic protease inhibitors CEPHALON, INC. (US) 1999-11-23 US disclosed
US-5830870-A PREVENT LOSS OF MUSCLE MASS CEPHALON, INC. (US) 1998-11-03 US disclosed
CN-1164192-A Inhibitors of heterogeneously catalyzed proteases CEPHALON INC (US) 1997-11-05 CN disclosed
EP-0789578-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1997-08-20 EP disclosed
US-5614649-A TREATMENT OF MUSCULAR DISORDERS, SUBSTITUTED GUANIDINES CEPHALON, INC. (US) 1997-03-25 US disclosed
US-5550262-A TREATMENT OF MUSCLES WASTING DISEASES CEPHALON, INC. (US) 1996-08-27 US disclosed
WO-1996014857-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1996-05-23 WO disclosed