SCHEMBL7358708

SCHEMBL7358708

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.42
MMP1 P03956 7/20 0.41
MMP2 P08253 1/20 0.40
CTSL P07711 4/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL7363695 0.90 MME (0.46) MMP3MMP1MMP2
SCHEMBL7357864 0.89 MMP3 (0.43) MMP3MMP1MMP2CTSL
SCHEMBL7357685 0.87 MMP3 (0.44) MMP3MMP1MMP2OPRK1
SCHEMBL7361335 0.86 MMP3 (0.42) MMP3MMP1MMP2CTSL
SCHEMBL7426285 0.86 MMP3 (0.44) MMP3MMP1MMP2
SCHEMBL7358575 0.84 PTPN1 (0.46) MMP3MMP1CTSL
SCHEMBL7426196 0.84 MMP3 (0.44) MMP3MMP1MMP2CTSL
SCHEMBL7358535 0.84 MMP3 (0.41) MMP3MMP1MMP2OPRK1
SCHEMBL7362029 0.83 MME (0.41) MMP3MMP1
SCHEMBL7423322 0.82 ERAP2 (0.40) MMP3MMP1MMP2

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