SCHEMBL7362025

SCHEMBL7362025

CSCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
MMP3 P08254 5/20 0.49
MMP1 P03956 3/20 0.49
CTSS P25774 3/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 2/20 0.47
GLS O94925 1/20 0.47
CAPN1 P07384 2/20 0.47
MMP2 P08253 1/20 0.46

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
SCHEMBL7362031 1.00 CTSK (0.49) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7363698 0.92 MMP3 (0.57) MMP3MMP1GLSMMP2
SCHEMBL7366896 0.92 MMP3 (0.57) MMP3MMP1GLSMMP2
SCHEMBL6961636 0.91 CTSK (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL6961631 0.91 CTSK (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7357865 0.89 MMP3 (0.62) CTSKMMP3MMP1CTSLCAPN1
SCHEMBL7357861 0.89 MMP3 (0.62) CTSKMMP3MMP1CTSLCAPN1
SCHEMBL7426200 0.86 MMP3 (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7364811 0.86 CTSK (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7365921 0.86 CTSK (0.59) CTSKMMP3MMP1CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed