SCHEMBL7359112

SCHEMBL7359112

CC(C)[C@@H](C(=O)Nc1n[nH]c(=S)s1)N(C(=O)OCc1ccccc1)C(=O)[C@H](CCC(N)=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.42
MMP1 P03956 12/20 0.42
MMP2 P08253 9/20 0.40
MMP8 P22894 8/20 0.39
MMP9 P14780 7/20 0.39

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
SCHEMBL7358396 0.82 MMP3 (0.43) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7399055 0.78 MMP3 (0.44) MMP3MMP1MMP2MMP8MMP9
SCHEMBL8902722 0.77 MMP3 (0.46) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7562073 0.77 MMP3 (0.44) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7481678 0.75 MMP3 (0.42) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7359109 0.72 CASP3 (0.39) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7475200 0.72 MMP3 (0.47) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6957808 0.69 MMP3 (0.55) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6957803 0.69 MMP3 (0.55) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7479205 0.69 MMP3 (0.43) MMP3MMP1MMP2MMP8MMP9

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