SCHEMBL7361281

SCHEMBL7361281

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.48
MMP8 P22894 11/20 0.48
MMP1 P03956 11/20 0.48
MMP9 P14780 10/20 0.48
CTRB1 P17538 1/20 0.47
MMP3 P08254 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CTSK P43235 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL7361277 1.00 MMP2 (0.48) MMP2MMP8MMP1MMP9CTRB1
SCHEMBL7918687 0.83 CTRB1 (0.58) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL30754693 0.83 CTRB1 (0.58) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL27280340 0.79 CTRB1 (0.60) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL24513611 0.79 CTRB1 (0.64) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL11167627 0.79 CTRB1 (0.64) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL11167632 0.79 CTRB1 (0.64) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL11450738 0.79 CTRB1 (0.64) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL7106091 0.79 CTRB1 (0.64) CTRB1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL7920393 0.78 CTRB1 (0.58) CTRB1NPSR1TSHRL3MBTL1KDM4E

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