SCHEMBL13129787

SCHEMBL13129787

CC1[C@H](C)OC2COC(C)(C)O[C@H]2[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ YWHAZ P63104 3/20 0.33
▸ 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

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
SCHEMBL25510322 0.89 CA2 (0.35) CA2CA1CA9YWHAZMGAM
SCHEMBL25509870 0.89 CA2 (0.35) CA2CA1CA9YWHAZMGAM
SCHEMBL13139549 0.88 CA2 (0.38) CA2CA1CA9
SCHEMBL27594926 0.80 CA2 (0.36) CA2CA1CA9YWHAZMGAM
SCHEMBL9812954 0.80 CA2 (0.36) CA2CA1CA9YWHAZMGAM
SCHEMBL7151445 0.79 CA2 (0.35) CA2CA1CA9YWHAZMGAM
SCHEMBL28066823 0.79 CA2 (0.35) CA2CA1CA9YWHAZMGAM
SCHEMBL1151202 0.79 CA2 (0.35) CA2CA1CA9YWHAZMGAM
SCHEMBL10419819 0.79 CA2 (0.35) CA2CA1CA9YWHAZMGAM
SCHEMBL13129796 0.77 KMT2A (0.37) CA2CA1CA9

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-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X INSTITUT PASTEUR (FR) 2010-09-23 — — 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-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A CA2 3218/4885CA1 1299/4885CA9 1476/4885

“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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