SCHEMBL12712865

SCHEMBL12712865

CC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)OP(=O)(c3ccc(-c4ccccc4)cc3)[C@@H](O)[C@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.33
▸ HCRTR2 O43614 3/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL12712836 0.94 ELANE (0.34) ELANEHCRTR2HCRTR1CA1CA2
SCHEMBL13053632 0.94 ELANE (0.34) ELANEHCRTR2HCRTR1CA1CA2
SCHEMBL12712584 0.89 CA1 (0.33) CA1CA2CA9
SCHEMBL12712723 0.83 CA1 (0.31) HCRTR2HCRTR1CA1CA2CA9
SCHEMBL13053787 0.81 CA1 (0.36) ELANEHCRTR2HCRTR1CA1CA2
SCHEMBL15989469 0.81 CA1 (0.36) ELANEHCRTR2HCRTR1CA1CA2
SCHEMBL12712843 0.79 TBXAS1 (0.33) ELANEHCRTR2HCRTR1CA1CA2
SCHEMBL15989519 0.78 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL13081392 0.76 CA2 (0.39) ELANEHCRTR2HCRTR1CA1CA2
SCHEMBL15989468 0.76 ALDH1A1 (0.39) ELANEHCRTR2HCRTR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170912-B3 NEW PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME CENTRE NAT RECH SCIENT (FR) 2022-06-15 — — EP disclosed
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
EP-2170912-B1 NEW PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME CENTRE NAT RECH SCIENT (FR) 2011-04-06 — — EP 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
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
WO-2009004096-A1 NEW PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-01-08 — — 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-20100298272-A1 PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME G6PC1, SLC5A1, HK1 ELANE 4377/4885HCRTR2 4760/4885HCRTR1 4475/4885

“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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