SCHEMBL7364809

SCHEMBL7364809

CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.39
MMP1 P03956 3/20 0.39
CTSK P43235 5/20 0.39
CTSB P07858 3/20 0.39
ALDH1A1 P00352 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSD P07339 1/20 0.37
MMP2 P08253 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7361335 0.92 MMP3 (0.42) MMP3MMP1CTSKCTSBALDH1A1
SCHEMBL7363969 0.92 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL7357732 0.91 MMP3 (0.46) MMP3MMP1CTSKCTSBALDH1A1
SCHEMBL8903088 0.90 MMP3 (0.37) MMP3MMP1CTSKCTSBALDH1A1
SCHEMBL7423322 0.88 ERAP2 (0.40) MMP3MMP1CTSDMMP2
SCHEMBL7360915 0.88 MMP3 (0.38) MMP3MMP1CTSKCTSBALDH1A1
SCHEMBL7355861 0.87 PSMB1 (0.41) MMP3MMP1
SCHEMBL7484700 0.87 MMP3 (0.37) MMP3MMP1CTSKCTSBALDH1A1
SCHEMBL7426196 0.87 MMP3 (0.44) MMP3MMP1CTSKCTSBCTSL
SCHEMBL7364939 0.86 ERAP2 (0.40) MMP3MMP1CTSKCTSBCTSL

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