SCHEMBL7365072

SCHEMBL7365072

CC(C)[C@@H](C(=O)N(Cc1ccccc1)c1n[nH]c(=S)s1)N(C(=O)OCc1ccccc1)C(=O)C(N)CS

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.34
MMP1 P03956 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MLYCD O95822 1/20 0.33
SLC15A1 P46059 1/20 0.32
MMP2 P08253 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7426285 0.72 MMP3 (0.44) MMP3MMP1ALDH1A1HPGDMAPT
SCHEMBL7399055 0.72 MMP3 (0.44) MMP3MMP1MMP2
SCHEMBL7361335 0.72 MMP3 (0.42) MMP3MMP1ALDH1A1HPGDMAPT
SCHEMBL7360436 0.71 MMP3 (0.32) MMP3MMP1ALDH1A1HPGDMAPT
SCHEMBL7364809 0.71 MMP3 (0.39) MMP3MMP1ALDH1A1HPGDMAPT
SCHEMBL8902722 0.71 MMP3 (0.46) MMP3MMP1MMP2
SCHEMBL7562073 0.71 MMP3 (0.44) MMP3MMP1MMP2
SCHEMBL7357732 0.70 MMP3 (0.46) MMP3MMP1ALDH1A1HPGDMAPT
SCHEMBL7481678 0.70 MMP3 (0.42) MMP3MMP1MMP2
SCHEMBL7357685 0.69 MMP3 (0.44) MMP3MMP1ALDH1A1HPGDMAPT

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 3 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
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