SCHEMBL24500006

SCHEMBL24500006

CC1OC(CO[PH](=O)O)C2OC(C)(C)OC12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL21473168 0.76 CA2 (0.41) CA2CA1CA9ALDH1A1
SCHEMBL16749114 0.76 ALDH1A1 (0.45) CA2CA1CA9ALDH1A1
SCHEMBL13295517 0.76 ALDH1A1 (0.45) CA2CA1CA9ALDH1A1
SCHEMBL24500002 0.73 CA1 (0.32) CA2CA1CA9
SCHEMBL12858933 0.72 PI4KA (0.38) CA2CA1CA9ALDH1A1
SCHEMBL24686930 0.72 PI4KA (0.38) CA2CA1CA9ALDH1A1
SCHEMBL12838397 0.72 PI4KA (0.38) CA2CA1CA9ALDH1A1
SCHEMBL17110046 0.72 PI4KA (0.38) CA2CA1CA9ALDH1A1
SCHEMBL10072844 0.72 PI4KA (0.38) CA2CA1CA9ALDH1A1
SCHEMBL20131364 0.72 PI4KA (0.38) CA2CA1CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 — — 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 CA2 3503/4885CA1 4300/4885CA9 4347/4885

“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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