SCHEMBL7361333

SCHEMBL7361333

CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.64
MMP1 P03956 12/20 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
SCHEMBL7361337 1.00 MMP3 (0.64) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7423329 0.95 MMP1 (0.59) MMP3MMP1MMP2MMP8MMP9
SCHEMBL8896527 0.94 MMP3 (0.57) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7394276 0.92 MMP3 (0.55) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7400008 0.92 MMP1 (0.59) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7364811 0.92 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL7365921 0.92 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL6968692 0.92 MMP3 (0.56) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6968687 0.92 MMP3 (0.56) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7357736 0.91 MMP3 (0.65) 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