SCHEMBL7356790

SCHEMBL7356790

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.64
MMP1 P03956 13/20 0.59
MMP2 P08253 8/20 0.59
MMP8 P22894 7/20 0.57
MMP9 P14780 6/20 0.57

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
SCHEMBL7356783 1.00 MMP3 (0.64) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6958493 0.86 MMP3 (0.69) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7396121 0.85 MMP3 (0.66) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7360314 0.84 MMP1 (0.56) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7360305 0.84 MMP1 (0.56) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7361333 0.84 MMP3 (0.64) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7361337 0.84 MMP3 (0.64) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7425970 0.82 MMP3 (0.61) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7425965 0.82 MMP3 (0.61) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7357793 0.81 MMP3 (0.54) 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