SCHEMBL13470533

SCHEMBL13470533

C[C@@H](O)[C@@H]1CC[C@](C#N)(n2ccc(N)nc2=O)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.31
CACNA1F O60840 2/20 0.31
LMNA P02545 2/20 0.31
ALB P02768 2/20 0.31
MAPT P10636 2/20 0.31
CACNA1D Q01668 2/20 0.31
CACNA1S Q13698 2/20 0.31
CACNA1C Q13936 2/20 0.31
POLG P54098 1/20 0.31
PDE4D Q08499 1/20 0.30
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL30867003 0.79 FGFR1 (0.31)
SCHEMBL13470539 0.78 CRBN (0.31)
SCHEMBL21099848 0.77 PDE3A (0.32) PDE3ACACNA1FLMNAALBMAPT
SCHEMBL13454602 0.72 NT5E (0.35) PDE3ALMNAPDE4DSLC29A1
SCHEMBL13454604 0.72 NT5E (0.35) PDE3ALMNAPDE4DSLC29A1
SCHEMBL21099941 0.72 PDE3A (0.34) PDE3ACACNA1FLMNAALBMAPT
SCHEMBL21100416 0.71 PDE3A (0.45) PDE3ACACNA1FLMNAALBMAPT
SCHEMBL21099800 0.71 PDE3A (0.36) PDE3ACACNA1FLMNAALBMAPT
SCHEMBL21099906 0.67 NT5E (0.38) PDE3ACACNA1FLMNAALBMAPT
SCHEMBL13454896 0.66

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-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 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-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, TYMP PDE3A 1827/4885CACNA1F 3935/4885LMNA 960/4885

“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.