SCHEMBL7360436

SCHEMBL7360436

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.32
MMP1 P03956 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7365072 0.71 MMP3 (0.34) MMP3MMP1ALDH1A1MAPTHPGD
SCHEMBL7399055 0.70 MMP3 (0.44) MMP3MMP1
SCHEMBL8902722 0.69 MMP3 (0.46) MMP3MMP1
SCHEMBL7562073 0.69 MMP3 (0.44) MMP3MMP1
SCHEMBL7481678 0.68 MMP3 (0.42) MMP3MMP1
SCHEMBL7275440 0.66 SLC15A1 (0.47) ALDH1A1HSD17B10
SCHEMBL7420644 0.65 ANPEP (0.43) ALDH1A1HSD17B10
SCHEMBL7426285 0.65 MMP3 (0.44) MMP3MMP1ALDH1A1MAPTHPGD
SCHEMBL8705956 0.64 MMP3 (0.48) MMP3MMP1ALDH1A1MAPTHPGD
SCHEMBL30254757 0.63 SLC15A1 (0.40) ALDH1A1HSD17B10

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