SCHEMBL8290835

SCHEMBL8290835

N=C(N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.59
F10 P00742 8/20 0.59
PLG P00747 7/20 0.59
KLKB1 P03952 2/20 0.59
PROC P04070 1/20 0.59
TMPRSS11D O60235 10/20 0.56
F11 P03951 1/20 0.51
TMPRSS6 Q8IU80 5/20 0.51
MASP2 O00187 1/20 0.51
TMPRSS2 O15393 2/20 0.49
PLAU P00749 1/20 0.49
HPN P05981 1/20 0.49

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
SCHEMBL8289955 0.96 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL17366096 0.96 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL16843096 0.96 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL20117496 0.96 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL17366095 0.96 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8290996 0.95 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8289959 0.95 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8290743 0.95 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8289804 0.95 F2 (0.57) F2F10PLGKLKB1PROC
Acetic Acid SCHEMBL30541187 0.94 F2 (0.55) F2F10PLGKLKB1PROC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090658-B2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2015-07-28 US disclosed
EP-1664089-B1 BASE-SUBSTITUTED BENZYLAMINE ANALOGS FOR USE AS COAGULATION FACTOR XA INHIBITORS, THE PRODUCTION AND USE THEREOF MEDICINES CO LEIPZIG GMBH (DE) 2011-11-16 EP disclosed
EP-2292640-A2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof The Medicines Company (Leipzig) GmbH (DE) 2011-03-09 EP disclosed
US-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2007-03-22 US disclosed
WO-2005026198-A1 BASE-SUBSTITUTED BENZYLAMINE ANALOGS FOR USE AS COAGULATION FACTOR XA INHIBITORS, THE PRODUCTION AND USE THEREOF CURACYTE CHEMISTRY GMBH (DE) 2005-03-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof F12, F2, F11 F2 2/4885F10 6/4885PLG 101/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.