SCHEMBL16489968

SCHEMBL16489968

CC(=O)NC1[C@H](OC2[C@H](C)OC(C)[C@H](C)[C@@H]2O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](C)C(C)C2C)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.44
▸ CD69 Q07108 1/20 0.43
▸ HRAS P01112 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ LGALS3 P17931 1/20 0.42

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
SCHEMBL16489969 0.93 SLC6A2 (0.43) SLC6A2HRASPOLBLGALS3
SCHEMBL15975418 0.88 TP53 (0.45) CD69HRASPOLBLGALS3
SCHEMBL13130034 0.86 POLB (0.44) CD69HRASPOLBLGALS3
SCHEMBL16489965 0.84 L3MBTL1 (0.38) SLC6A2LGALS3
SCHEMBL16489960 0.84 MAG (0.42) SLC6A2HRASLGALS3
SCHEMBL16489958 0.82 LGALS8 (0.40) SLC6A2HRASPOLBLGALS3
SCHEMBL11170198 0.81 MAG (0.49) CD69HRASPOLBLGALS3
SCHEMBL11494535 0.81 MAG (0.49) CD69HRASPOLBLGALS3
SCHEMBL11170193 0.81 MAG (0.49) CD69HRASPOLBLGALS3
SCHEMBL15975417 0.81 GJB2 (0.41) SLC6A2

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 SLC6A2 2998/4885CD69 127/4885HRAS 3755/4885

“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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