SCHEMBL13053732

SCHEMBL13053732

CC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)OP(=O)(c3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ELANE P08246 2/20 0.31
▸ GSTP1 P09211 2/20 0.31
▸ CTSV O60911 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ CTSC P53634 1/20 0.30
▸ CTSF Q9UBX1 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL13081392 0.83 CA2 (0.39) CA1CA2CA9ELANEL3MBTL1
SCHEMBL13053855 0.82 CA1 (0.34) CA1CA2CA9ELANE
SCHEMBL15989468 0.81 ALDH1A1 (0.39) CA1CA2CA9ELANEL3MBTL1
SCHEMBL26668874 0.81 ALDH1A1 (0.39) CA1CA2CA9ELANEL3MBTL1
SCHEMBL13053810 0.80 CA1 (0.33) CA1CA2CA9ELANEL3MBTL1
SCHEMBL15989518 0.80 TMEM97 (0.32) TMEM97SIGMAR1
SCHEMBL27170378 0.80 TMEM97 (0.32) TMEM97SIGMAR1
SCHEMBL13053762 0.80 TMEM97 (0.32) TMEM97SIGMAR1
SCHEMBL27170379 0.80 TMEM97 (0.32) TMEM97SIGMAR1
SCHEMBL12712836 0.79 ELANE (0.34) TMEM97SIGMAR1CA1CA2CA9

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 4 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
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

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 TMEM97 4356/4885SIGMAR1 3760/4885CA1 494/4885

“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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