SCHEMBL7357793

SCHEMBL7357793

CC(C)[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.54
MMP1 P03956 10/20 0.52
MMP2 P08253 2/20 0.52
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7356790 0.81 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7356783 0.81 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6958185 0.80 MMP3 (0.69) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7396121 0.79 MMP3 (0.66) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968692 0.79 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968687 0.79 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7361333 0.76 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7425970 0.76 MMP3 (0.61) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7425965 0.76 MMP3 (0.61) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7365921 0.75 CTSK (0.59) 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 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