SCHEMBL7399055

SCHEMBL7399055

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.44
MMP1 P03956 10/20 0.44
MMP2 P08253 6/20 0.41
MMP9 P14780 5/20 0.39
MMP8 P22894 5/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL8902722 0.85 MMP3 (0.46) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7562073 0.85 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7481678 0.83 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7359112 0.78 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8156824 0.76 MMP3 (0.53) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7475200 0.76 MMP3 (0.47) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7365075 0.75 MMP3 (0.50) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7345089 0.74 MMP3 (0.55) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7359871 0.74 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7365072 0.72 MMP3 (0.34) 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