SCHEMBL7358533

SCHEMBL7358533

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1n[nH]c(=S)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.39
MMP1 P03956 5/20 0.38
MMP2 P08253 3/20 0.38
TPH1 P17752 1/20 0.37
CTSD P07339 1/20 0.36
NPY5R Q15761 3/20 0.35
CTSC P53634 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
ERAP2 Q6P179 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL7368214 0.92 LNPEP (0.41) MMP3MMP1MMP2ERAP2LNPEP
SCHEMBL7356789 0.91 MMP3 (0.43) MMP3MMP1MMP2CTSCMMP9
SCHEMBL7361335 0.84 MMP3 (0.42) MMP3MMP1MMP2CTSDMMP9
SCHEMBL7396119 0.83 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7355861 0.82 PSMB1 (0.41) MMP3MMP1ERAP2LNPEP
SCHEMBL7360307 0.81 LIMK2 (0.40) MMP1MMP2MMP9MMP8
SCHEMBL7366460 0.81 MMP3 (0.42) MMP3MMP1MMP2CTSCMMP9
SCHEMBL7425968 0.80 MMP3 (0.40) MMP3MMP1MMP2CTSDMMP9
SCHEMBL7423322 0.80 ERAP2 (0.40) MMP3MMP1MMP2CTSDMMP9
SCHEMBL7364939 0.78 ERAP2 (0.40) MMP3MMP1MMP2ERAP2LNPEP

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