SCHEMBL5223065

SCHEMBL5223065

CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
CTSK P43235 7/20 0.51
SYK P43405 1/20 0.51
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
REN P00797 1/20 0.50
PSMB5 P28074 1/20 0.50
BACE1 P56817 3/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
CTSS P25774 2/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL30406651 1.00 CA1 (0.57) CA1KLK7KLK5CTSKSYK
SCHEMBL29813279 0.98 CA1 (0.55) CA1KLK7KLK5CTSKSYK
SCHEMBL29813227 0.90 CTSK (0.49) CA1KLK7KLK5CTSKSYK
SCHEMBL28647259 0.90 BACE1 (0.56) CA1KLK7KLK5CTSKCTSB
SCHEMBL28647258 0.90 BACE1 (0.56) CA1KLK7KLK5CTSKCTSB
SCHEMBL29813491 0.89 CTSK (0.52) CA1KLK7KLK5CTSKSYK
SCHEMBL3169245 0.88 CA1 (0.59) CA1CTSKCTSLCTSBFNTA
SCHEMBL4487966 0.88 CA1 (0.59) CA1CTSKCTSLCTSBFNTA
SCHEMBL4474296 0.88 CA1 (0.59) CA1CTSKCTSLCTSBFNTA
SCHEMBL4467787 0.88 CA1 (0.59) CA1CTSKCTSLCTSBFNTA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444201-B1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2007-09-12 EP disclosed
US-7179835-B2 2-(3-sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2007-02-20 US disclosed