SCHEMBL7360314

SCHEMBL7360314

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.56
MMP2 P08253 11/20 0.56
MMP8 P22894 10/20 0.56
MMP9 P14780 9/20 0.56
MMP3 P08254 8/20 0.51
HDAC1 Q13547 1/20 0.48
USP30 Q70CQ3 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
SCHEMBL7360305 1.00 MMP1 (0.56) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7356790 0.84 MMP3 (0.64) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7356783 0.84 MMP3 (0.64) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7360307 0.77 LIMK2 (0.40) MMP1MMP2MMP8MMP9
SCHEMBL6958493 0.76 MMP3 (0.69) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7396121 0.76 MMP3 (0.66) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7361333 0.74 MMP3 (0.64) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7361337 0.74 MMP3 (0.64) MMP1MMP2MMP8MMP9MMP3
Valine SCHEMBL7361557 0.74 ALDH1A1 (0.58) MMP9USP30
SCHEMBL6952381 0.73 MMP3 (0.84) MMP1MMP2MMP3

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