SCHEMBL5043546

SCHEMBL5043546

O=C(O)c1ccc(C(=O)N2CCCOCC2)n1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.51
F2 P00734 7/20 0.48
KLK1 P06870 2/20 0.48
PLAT P00750 1/20 0.48
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4605266 0.89 F10 (0.48) F10F2KLK1PLATALDH1A1
SCHEMBL2782337 0.86 F10 (0.48) F10F2KLK1PLATALDH1A1
SCHEMBL2782297 0.85 F10 (0.47) F10F2KLK1PLATALDH1A1
SCHEMBL2783308 0.81 F10 (0.50) F10F2KLK1PLATALDH1A1
SCHEMBL2779558 0.81 F10 (0.49) F10F2KLK1PLATALDH1A1
SCHEMBL5040232 0.80 F10 (0.49) F10F2KLK1PLAT
SCHEMBL4606196 0.79 F10 (0.46) F10F2KLK1PLAT
SCHEMBL4415806 0.78 F10 (0.51) F10F2KLK1PLATALDH1A1
SCHEMBL2781719 0.77 F10 (0.48) F10F2KLK1PLATNPC1
SCHEMBL2782382 0.77 F10 (0.48) F10F2KLK1PLATALDH1A1

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 8 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-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.