SCHEMBL8202516

SCHEMBL8202516

N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 20/20 0.90
F10 P00742 19/20 0.90
F2 P00734 12/20 0.90
PLG P00747 12/20 0.90
PLAU P00749 12/20 0.90
TMPRSS6 Q8IU80 7/20 0.82

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
SCHEMBL8196664 0.95 ST14 (1.00) ST14F10F2PLGPLAU
SCHEMBL6874294 0.91 F10 (1.00) ST14F10F2PLGPLAU
SCHEMBL19309734 0.90 ST14 (0.86) ST14F10F2PLGPLAU
SCHEMBL12998786 0.90 ST14 (0.86) ST14F10F2PLGPLAU
SCHEMBL8196584 0.90 F10 (1.00) ST14F10F2PLGPLAU
SCHEMBL8190331 0.89 F10 (1.00) ST14F10F2PLGPLAU
SCHEMBL8201054 0.89 F10 (1.00) ST14F10F2PLGPLAU
SCHEMBL12998731 0.88 F10 (1.00) ST14F10F2PLGPLAU
SCHEMBL14669479 0.88 F10 (0.92) ST14F10F2PLGPLAU
SCHEMBL8196581 0.87 ST14 (1.00) ST14F10F2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008107176-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-09-12 WO disclosed