SCHEMBL7366460

SCHEMBL7366460

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C(=O)Cc1ccc(-c2ccccc2)cc1)c1n[nH]c(=S)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.42
MMP1 P03956 10/20 0.41
MMP2 P08253 5/20 0.41
PRCP P42785 1/20 0.40
MMP9 P14780 4/20 0.37
MMP8 P22894 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CTSH P09668 1/20 0.36
CYP2D6 P10635 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 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
SCHEMBL7356789 0.89 MMP3 (0.43) MMP3MMP1MMP2PRCPMMP9
SCHEMBL7396119 0.87 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7425968 0.85 MMP3 (0.40) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7361335 0.83 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7357789 0.83 CA12 (0.40) MMP3MMP1MMP2
SCHEMBL7423322 0.81 ERAP2 (0.40) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7358533 0.81 MMP3 (0.39) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7355861 0.80 PSMB1 (0.41) MMP3MMP1
SCHEMBL7368214 0.79 LNPEP (0.41) MMP3MMP1MMP2
SCHEMBL7364939 0.79 ERAP2 (0.40) MMP3MMP1MMP2CTSK

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