SCHEMBL13053632

SCHEMBL13053632

CC1(C)OCC(C2OP(=O)(c3ccccc3)C(O)C3OC(C)(C)OC23)O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HCRTR2 O43614 7/20 0.33
▸ HCRTR1 O43613 6/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TBXA2R P21731 1/20 0.30
▸ ALDH1A1 P00352 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 1.00 ELANE (0.34) ELANECA1CA2CA9HCRTR2
SCHEMBL12712865 0.94 ELANE (0.33) ELANECA1CA2CA9HCRTR2
SCHEMBL12712584 0.89 CA1 (0.33) CA1CA2CA9MGAMGAA
SCHEMBL12712870 0.88 CA1 (0.32) CA1CA2CA9MGAMGAA
SCHEMBL12712723 0.88 CA1 (0.31) CA1CA2CA9HCRTR2HCRTR1
SCHEMBL13053728 0.86 MMP1 (0.37) ELANECA1CA2CA9L3MBTL1
SCHEMBL15989469 0.86 CA1 (0.36) ELANECA1CA2CA9HCRTR2
SCHEMBL13053787 0.86 CA1 (0.36) ELANECA1CA2CA9HCRTR2
SCHEMBL15989519 0.83 HCRTR2 (0.36) HCRTR2HCRTR1L3MBTL1
SCHEMBL12712843 0.82 TBXAS1 (0.33) ELANECA1CA2CA9HCRTR2

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 9 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-20150376216-A1 SUGAR-ANALOG PHOSPHORUS-CONTAINING HETEROCYCLES HAVING AN ANTI-METASTATIC ACTIVITY UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 — — US disclosed
US-20150376216-A1 SUGAR-ANALOG PHOSPHORUS-CONTAINING HETEROCYCLES HAVING AN ANTI-METASTATIC ACTIVITY UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 — — US disclosed
WO-2014128429-A1 SUGAR-ANALOG PHOSPHORUS-CONTAINING HETEROCYCLES HAVING AN ANTI-METASTATIC ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-28 — — WO 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
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
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 (2 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 4377/4885CA1 494/4885CA2 182/4885
US-20150376216-A1 SUGAR-ANALOG PHOSPHORUS-CONTAINING HETEROCYCLES HAVING AN ANTI-METASTATIC ACTIVITY G6PC1, SLC5A1, FBP1 ELANE 2004/4885CA1 466/4885CA2 277/4885

“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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