SCHEMBL5625802

SCHEMBL5625802

NC[C@@H](NC(=O)C(F)(F)C(F)F)C(=O)Nc1ccc(N2CCOCC2=O)cc1C(F)F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.41
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL5628849 1.00 F10 (0.41) F10PIK3CDPIK3CAPIK3CGMAP4K1
SCHEMBL5628539 0.91 F10 (0.43) F10
SCHEMBL5626416 0.91 F10 (0.43) F10
SCHEMBL5629083 0.91 F10 (0.44) F10
SCHEMBL5626146 0.91 F10 (0.44) F10
SCHEMBL5624555 0.90 F10 (0.42) F10PIK3CDPIK3CAPIK3CGMAP4K1
SCHEMBL5626350 0.90 F10 (0.42) F10PIK3CDPIK3CAPIK3CGMAP4K1
SCHEMBL5626331 0.89 F10 (0.46) F10
SCHEMBL5626195 0.89 F10 (0.46) F10
SCHEMBL5628357 0.89 F10 (0.44) F10

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 1 patent. 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

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 9/4885PIK3CD 2590/4885PIK3CA 1361/4885

“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.