SCHEMBL5040561

SCHEMBL5040561

COC(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)n1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.74
F2 P00734 1/20 0.73
KLK1 P06870 1/20 0.73

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
SCHEMBL5035767 0.92 F10 (0.76) F10F2KLK1
SCHEMBL5045751 0.91 F10 (0.71) F10F2KLK1
SCHEMBL5038619 0.90 F10 (0.72) F10F2KLK1
SCHEMBL5040139 0.88 F10 (0.66) F10F2KLK1
SCHEMBL1456774 0.87 F10 (0.76) F10F2KLK1
SCHEMBL1455650 0.87 F10 (0.73) F10F2KLK1
SCHEMBL5040580 0.87 F10 (0.71) F10F2KLK1
SCHEMBL1675018 0.86 F10 (0.82) F10F2KLK1
SCHEMBL4871621 0.86 F10 (0.74) F10F2KLK1
SCHEMBL1675056 0.86 F10 (0.83) F10F2KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US claimed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US claimed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP claimed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO claimed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 EP claimed
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US disclosed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US disclosed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 EP 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-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors F12, F2, F5 F10 7/4885F2 2/4885KLK1 829/4885

“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.