SCHEMBL16489937

SCHEMBL16489937

CC(=O)OC1C(O)OC(C)[C@H](C)[C@@H]1O[C@@H]1OC(C)[C@H](C)[C@H](C)C1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.34
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL16489941 1.00 OGA (0.34) OGACA9CA12CA1CA2
SCHEMBL16489936 0.91 CA9 (0.33) OGACA9CA12CA1CA2
SCHEMBL16489938 0.87 CA9 (0.41) OGACA9CA12CA1CA2
SCHEMBL15975384 0.86 CA9 (0.41) OGACA9CA12CA1CA2
SCHEMBL17281224 0.83 CA9 (0.40) OGACA9CA12CA1CA2
SCHEMBL26243889 0.83 CA9 (0.40) OGACA9CA12CA1CA2
SCHEMBL26499249 0.83 CA9 (0.40) OGACA9CA12CA1CA2
SCHEMBL26483823 0.81 CA9 (0.39) OGACA9CA12CA1CA2
SCHEMBL16489948 0.81 CA9 (0.39) OGACA9CA12CA1CA2
SCHEMBL26635308 0.81 CA9 (0.39) OGACA9CA12CA1CA2

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-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X INSTITUT PASTEUR (FR) 2015-02-19 — — 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-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A OGA 166/4885CA9 1476/4885CA12 686/4885

“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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