SCHEMBL5628480

SCHEMBL5628480

CN(C)CCOC(=O)c1cc(N2CCOCC2=O)ccc1NC(=O)CCNC(=O)c1ccc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.63
PTGS2 P35354 1/20 0.48
ABCB11 O95342 1/20 0.48
F2 P00734 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL5626842 0.90 F10 (0.71) F10PTGS2ABCB11F2ST14
SCHEMBL5624558 0.83 F10 (0.70) F10PTGS2ABCB11F2ST14
SCHEMBL4030183 0.78 F10 (1.00) F10PTGS2ABCB11F2ST14
SCHEMBL5625650 0.76 F10 (0.45) F10
SCHEMBL5630525 0.75 F10 (0.76) F10PTGS2
SCHEMBL5625633 0.74 F10 (0.45) F10
SCHEMBL4027828 0.74 F10 (0.79) F10
SCHEMBL27676793 0.72 F10 (0.57) F10PTGS2ABCB11F2ST14
SCHEMBL5625010 0.72 F10 (0.78) F10PTGS2
SCHEMBL5627735 0.71 F10 (0.64) F10PTGS2ABCB11F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
CN-1926148-A Beta-aminoacid-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 F10 9/4885PTGS2 2409/4885ABCB11 838/4885

“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.