SCHEMBL7365068

SCHEMBL7365068

CC(C)C(NC(=O)C(CS)NCc1ccccc1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.39
MMP1 P03956 6/20 0.39
CTSD P07339 2/20 0.37
MMP2 P08253 2/20 0.36
CTSB P07858 2/20 0.36
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL7399052 1.00 MMP3 (0.39) MMP3MMP1CTSDMMP2CTSB
SCHEMBL7361335 0.84 MMP3 (0.42) MMP3MMP1CTSDMMP2CTSB
SCHEMBL7364809 0.83 MMP3 (0.39) MMP3MMP1CTSDMMP2CTSB
SCHEMBL7360915 0.82 MMP3 (0.38) MMP3MMP1MMP2CTSBCTSK
SCHEMBL7357732 0.82 MMP3 (0.46) MMP3MMP1MMP2CTSBCTSK
SCHEMBL7359109 0.81 CASP3 (0.39) MMP3MMP1MMP2CTSBCTSK
SCHEMBL8903088 0.81 MMP3 (0.37) MMP3MMP1MMP2CTSBCTSK
SCHEMBL8894688 0.80 MMP3 (0.40) MMP3MMP1MMP2CTSBCTSK
SCHEMBL7423322 0.80 ERAP2 (0.40) MMP3MMP1CTSDMMP2MMP9
SCHEMBL7363969 0.79 CTSK (0.47) CTSBCTSKCTSLCTSS

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