SCHEMBL4881026

SCHEMBL4881026

O=C(O)c1cc2cc(OCCO)ncc2n1Cc1cc2ccc(Cl)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 7/20 0.45
CCR2 P41597 11/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL4879595 0.91 CCR9 (0.46) CCR9CCR2F2F10
SCHEMBL4879177 0.81 F10 (0.42) CCR9CCR2F2F10
SCHEMBL1380852 0.81 F10 (0.70) F2F10
SCHEMBL3967220 0.77 CCR2 (0.64) CCR9CCR2F2F10
SCHEMBL4876828 0.75 F10 (0.49) F2F10
SCHEMBL1378041 0.74 F10 (0.70) F2F10
SCHEMBL4879163 0.74 F10 (0.58) F2F10
SCHEMBL3372913 0.73 F2 (0.39) CCR9F2F10
SCHEMBL1377352 0.67 F10 (0.49) F2F10
SCHEMBL4879621 0.65 F10 (0.69) F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317027-B2 1-substituted 2-carboxamide derivatives of fused ring pyrroles, especially pyrrolo[2,3-b]pyridines and pyrrolo[3,2-b]pyridines, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US claimed
EP-1636226-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
US-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND (DE) 2005-01-13 US claimed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-13 US disclosed
US-7317027-B2 1-substituted 2-carboxamide derivatives of fused ring pyrroles, especially pyrrolo[2,3-b]pyridines and pyrrolo[3,2-b]pyridines, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
EP-1636226-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND (DE) 2005-01-13 US disclosed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 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 (2 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-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors F12, F5, F11 CCR9 2360/4885CCR2 2106/4885F2 8/4885
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors F12, F5, F11 CCR9 2431/4885CCR2 2356/4885F2 8/4885

“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.