SCHEMBL7363695

SCHEMBL7363695

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
ANPEP P15144 1/20 0.46
MMP3 P08254 7/20 0.41
MMP1 P03956 3/20 0.41
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
PGGT1B P53609 3/20 0.39
MMP2 P08253 1/20 0.39
LTA4H P09960 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7362029 0.92 MME (0.41) MMEANPEPMMP3MMP1FNTA
SCHEMBL7358708 0.90 MMP3 (0.42) MMP3MMP1MMP2
SCHEMBL7357864 0.88 MMP3 (0.43) MMP3MMP1MMP2LTA4H
SCHEMBL7357685 0.86 MMP3 (0.44) MMP3MMP1MMP2
SCHEMBL7361335 0.85 MMP3 (0.42) MMEMMP3MMP1MMP2
SCHEMBL7358575 0.83 PTPN1 (0.46) MMEMMP3MMP1LTA4H
SCHEMBL7426285 0.83 MMP3 (0.44) MMP3MMP1MMP2KMT2A
SCHEMBL7426196 0.83 MMP3 (0.44) MMP3MMP1MMP2
SCHEMBL7423322 0.81 ERAP2 (0.40) MMP3MMP1MMP2
SCHEMBL7355861 0.80 PSMB1 (0.41) MMP3MMP1LTA4H

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 3 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
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