SCHEMBL7365075

SCHEMBL7365075

CC(C)[C@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.50
MMP1 P03956 9/20 0.49
MMP2 P08253 6/20 0.47
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
MMP9 P14780 5/20 0.46
MMP8 P22894 5/20 0.46
GLS O94925 1/20 0.46
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL8156824 0.92 MMP3 (0.53) MMP3MMP1MMP2PPARAPPARG
SCHEMBL7361337 0.89 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7361333 0.89 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7365921 0.88 CTSK (0.59) MMP3MMP1MMP2CTSBCTSK
SCHEMBL7364811 0.88 CTSK (0.59) MMP3MMP1MMP2CTSBCTSK
SCHEMBL6968687 0.88 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968692 0.88 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7357736 0.87 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7363971 0.86 CTSK (0.56) MMP3MMP1MMP2CTSBCTSK
SCHEMBL7363967 0.86 CTSK (0.56) MMP3MMP1MMP2CTSBCTSK

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