SCHEMBL16489948

SCHEMBL16489948

CC(=O)OC1[C@H](O)OC(C)[C@H](C)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA1 P00915 3/20 0.39
▸ TSHR P16473 1/20 0.35
▸ OGA O60502 1/20 0.33
▸ CYP2D6 P10635 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL26483823 1.00 CA9 (0.39) CA9CA12CA2CA1TSHR
SCHEMBL26635308 1.00 CA9 (0.39) CA9CA12CA2CA1TSHR
SCHEMBL26499249 0.90 CA9 (0.40) CA9CA12CA2CA1TSHR
SCHEMBL26243889 0.90 CA9 (0.40) CA9CA12CA2CA1TSHR
SCHEMBL17281224 0.90 CA9 (0.40) CA9CA12CA2CA1TSHR
SCHEMBL16489936 0.85 CA9 (0.33) CA9CA12CA2CA1OGA
SCHEMBL17281225 0.84 CA9 (0.39) CA9CA12CA2CA1TSHR
SCHEMBL26429205 0.83 CA9 (0.45) CA9CA12CA2CA1TSHR
SCHEMBL26429215 0.83 CA9 (0.45) CA9CA12CA2CA1TSHR
SCHEMBL11249103 0.83 CA9 (0.49) CA9CA12CA2CA1TSHR

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 CA9 1476/4885CA12 686/4885CA2 3218/4885

“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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