SCHEMBL8290770

SCHEMBL8290770

CS(=O)(=O)N[C@H](CCc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.53
▸ MASP2 O00187 1/20 0.53
▸ PLAU P00749 1/20 0.53
▸ HPN P05981 1/20 0.53
▸ TMPRSS6 Q8IU80 8/20 0.51
▸ ST14 Q9Y5Y6 1/20 0.46
▸ F10 P00742 3/20 0.45
▸ PLG P00747 1/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ PROC P04070 1/20 0.45
▸ F7 P08709 4/20 0.45
▸ ADRA1B P35368 2/20 0.45
▸ F3 P13726 1/20 0.44
▸ TPSAB1 Q15661 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
SCHEMBL8291002 0.89 F10 (0.56) F2MASP2PLAUHPNTMPRSS6
SCHEMBL8291001 0.89 F10 (0.56) F2MASP2PLAUHPNTMPRSS6
SCHEMBL8289986 0.86 F10 (0.55) F2TMPRSS6F10PLGKLKB1
SCHEMBL8290754 0.86 F2 (0.51) F2MASP2PLAUHPNTMPRSS6
SCHEMBL8290737 0.86 F10 (0.53) F2TMPRSS6F10PLGKLKB1
SCHEMBL8289990 0.86 F10 (0.53) F2TMPRSS6F10PLGKLKB1
SCHEMBL12156535 0.86 F2 (0.55) F2MASP2PLAUHPNTMPRSS6
SCHEMBL12514173 0.86 TMPRSS6 (0.48) F2TMPRSS6ST14F10PROC
SCHEMBL8290838 0.85 F10 (0.53) F2F10PLGKLKB1PROC
SCHEMBL12156520 0.85 F2 (0.54) F2MASP2PLAUHPNTMPRSS6

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 2/4885MASP2 624/4885PLAU 91/4885

“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.

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