SCHEMBL7364811

SCHEMBL7364811

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.59
CTSB P07858 4/20 0.59
CTSS P25774 3/20 0.53
CTSL P07711 3/20 0.53
MMP3 P08254 6/20 0.53
MMP1 P03956 3/20 0.52
MMP2 P08253 1/20 0.49

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
SCHEMBL7365921 1.00 CTSK (0.59) CTSKCTSBCTSSCTSLMMP3
SCHEMBL7363967 0.97 CTSK (0.56) CTSKCTSBCTSSCTSLMMP3
SCHEMBL7363971 0.97 CTSK (0.56) CTSKCTSBCTSSCTSLMMP3
SCHEMBL6961631 0.93 CTSK (0.59) CTSKCTSBCTSSCTSLMMP3
SCHEMBL6961636 0.93 CTSK (0.59) CTSKCTSBCTSSCTSLMMP3
SCHEMBL7361337 0.92 MMP3 (0.64) MMP3MMP1MMP2
SCHEMBL7361333 0.92 MMP3 (0.64) MMP3MMP1MMP2
SCHEMBL6968692 0.91 MMP3 (0.56) CTSSCTSLMMP3MMP1MMP2
SCHEMBL6968687 0.91 MMP3 (0.56) CTSSCTSLMMP3MMP1MMP2
SCHEMBL7357736 0.90 MMP3 (0.65) CTSKCTSBCTSSCTSLMMP3

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