SCHEMBL8002083

SCHEMBL8002083

C=CCOC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)OC)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VHL P40337 10/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 1/20 0.37
MMP2 P08253 2/20 0.36
ANPEP P15144 2/20 0.36
PEPD P12955 1/20 0.36
ELOC Q15369 8/20 0.35
ELOB Q15370 8/20 0.35

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
SCHEMBL8002433 0.90 VHL (0.40) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL13703334 0.89 VHL (0.40) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL15325938 0.88 ALDH1A1 (0.39) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL20120873 0.82 ELANE (0.44) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL8015855 0.82 ELANE (0.44) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL20120875 0.82 ELANE (0.44) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL806128 0.82 ELANE (0.44) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL10292790 0.82 ELANE (0.44) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL13318866 0.82 ELANE (0.44) VHLALDH1A1MMP2ANPEPPEPD
SCHEMBL8253158 0.82 ELANE (0.44) VHLALDH1A1MMP2ANPEPPEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
WO-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 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-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, SPINT2, CTSV VHL 948/4885ALDH1A1 707/4885CYP19A1 569/4885

“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.