SCHEMBL7361335

SCHEMBL7361335

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.42
MMP1 P03956 5/20 0.42
ERAP2 Q6P179 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
MMP2 P08253 2/20 0.40
ECE1 P42892 3/20 0.39
CTSD P07339 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MME P08473 1/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 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
SCHEMBL7423322 0.95 ERAP2 (0.40) MMP3MMP1ERAP2LNPEPMMP2
SCHEMBL7355861 0.94 PSMB1 (0.41) MMP3MMP1ERAP2LNPEP
SCHEMBL7364939 0.93 ERAP2 (0.40) MMP3MMP1ERAP2LNPEPMMP2
SCHEMBL7400006 0.93 MMP3 (0.42) MMP3MMP1ERAP2LNPEPMMP2
SCHEMBL7364809 0.92 MMP3 (0.39) MMP3MMP1MMP2CTSDCTSL
SCHEMBL7357732 0.92 MMP3 (0.46) MMP3MMP1ERAP2LNPEPMMP2
SCHEMBL7366734 0.92 LNPEP (0.40) MMP3MMP1ERAP2LNPEPMMP2
SCHEMBL7357685 0.91 MMP3 (0.44) MMP3MMP1MMP2ALDH1A1MAPT
SCHEMBL7484700 0.91 MMP3 (0.37) MMP3MMP1ERAP2LNPEPMMP2
SCHEMBL8903088 0.90 MMP3 (0.37) MMP3MMP1ERAP2LNPEPMMP2

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