SCHEMBL13053756

SCHEMBL13053756

CCOC(OCC)P1(=O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2C1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL13053750 0.87 CA1 (0.37) CA1CA2CA9CA12CA4
SCHEMBL13081342 0.83 CA1 (0.34) CA1CA2CA9
SCHEMBL13053852 0.81 CA1 (0.34) CA1CA2CA9
SCHEMBL13053764 0.80 CA1 (0.30) CA1CA2CA9
SCHEMBL12712881 0.78 CA2 (0.36) CA1CA2CA9CA12CA4
SCHEMBL13053794 0.78 HCRTR1 (0.33) CA1CA2CA9CA4CA5A
SCHEMBL13053796 0.77 CYP1A2 (0.31) —
SCHEMBL13053760 0.75 CA1 (0.34) CA1CA2CA9CA4CA5A
SCHEMBL12712574 0.74 CA1 (0.34) CA1CA2CA9CA12CA4
SCHEMBL12712878 0.72 CA1 (0.33) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383609-B2 Phosphorus containing heterocyclic compounds, sugar analogues, and compositions having anti-cancer activity containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-02-26 — — US disclosed
US-20100298272-A1 PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-11-25 — — 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-20100298272-A1 PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME G6PC1, SLC5A1, HK1 CA1 494/4885CA2 182/4885CA9 159/4885

“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.

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