SCHEMBL7357685

SCHEMBL7357685

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.44
MMP1 P03956 9/20 0.43
MMP2 P08253 6/20 0.43
OPRD1 P41143 5/20 0.42
MMP9 P14780 5/20 0.42
MMP8 P22894 5/20 0.42
OPRM1 P35372 4/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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 0.91 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7357864 0.90 MMP3 (0.43) MMP3MMP1MMP2OPRD1
SCHEMBL7426285 0.88 MMP3 (0.44) MMP3MMP1MMP2MMP9ALDH1A1
SCHEMBL7358708 0.87 MMP3 (0.42) MMP3MMP1MMP2OPRK1
SCHEMBL7423322 0.87 ERAP2 (0.40) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7355861 0.86 PSMB1 (0.41) MMP3MMP1
SCHEMBL7363695 0.86 MME (0.46) MMP3MMP1MMP2
SCHEMBL7364939 0.85 ERAP2 (0.40) MMP3MMP1MMP2MAPT
SCHEMBL7358575 0.85 PTPN1 (0.46) MMP3MMP1
SCHEMBL7400006 0.84 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8

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