SCHEMBL13053759

SCHEMBL13053759

Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H]([C@H]3COC(C)(C)O3)O[PH]2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CYP2D6 P10635 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CA4 P22748 3/20 0.32
▸ CA5A P35218 3/20 0.32
▸ CA7 P43166 3/20 0.32
▸ CA14 Q9ULX7 3/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL13053757 0.82 CA2 (0.46) CA1CA2CA9CA4CA5A
SCHEMBL7155078 0.77 CA1 (0.65) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL15959288 0.77 CA1 (0.65) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL4160609 0.77 CA1 (0.65) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL12425366 0.77 CA1 (0.65) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL10061958 0.77 CA1 (0.65) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL1063303 0.77 CYP2D6 (0.43) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL9205825 0.77 CYP2D6 (0.43) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL13362393 0.77 CYP2D6 (0.43) CA1CA2CA9CYP2D6CYP1A2
SCHEMBL7768964 0.75 CA2 (0.40) CA1CA2CA9CYP2D6CYP1A2

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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