SCHEMBL7360661

SCHEMBL7360661

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.54
MMP1 P03956 5/20 0.48
MMP2 P08253 1/20 0.46
PTPN1 P18031 1/20 0.42

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
SCHEMBL7470774 1.00 MMP3 (0.54) MMP3MMP1MMP2PTPN1
SCHEMBL7358844 0.88 MMP3 (0.59) MMP3MMP1MMP2
SCHEMBL7358853 0.88 MMP3 (0.59) MMP3MMP1MMP2
SCHEMBL7363092 0.87 CASP3 (0.51) MMP3MMP1MMP2
SCHEMBL7363089 0.87 CASP3 (0.51) MMP3MMP1MMP2
SCHEMBL7394817 0.87 MMP3 (0.46) MMP3MMP1MMP2
SCHEMBL7394814 0.87 MMP3 (0.46) MMP3MMP1MMP2
SCHEMBL6957869 0.85 MMP3 (0.45) MMP3MMP1MMP2
SCHEMBL8710650 0.85 MMP3 (0.45) MMP3MMP1MMP2
SCHEMBL6961469 0.85 MMP3 (0.46) MMP3MMP1MMP2

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