SCHEMBL15975976

SCHEMBL15975976

CCCCO[C@H]1C(C)OC(O)[C@@H](OC(C)=O)C1O[C@@H]1OC(C)[C@H](O)C(O)[C@@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.35
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.31
VEGFA P15692 4/20 0.31
BMP2 P12643 1/20 0.31
CXCL12 P48061 1/20 0.31
SHH Q15465 1/20 0.31
FGF1 P05230 3/20 0.31
FGF2 P09038 3/20 0.31
HPSE Q9Y251 3/20 0.31
SELL P14151 8/20 0.31
SELP P16109 8/20 0.31
BCHE P06276 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
SCHEMBL15975977 0.91 GBA1 (0.36) GBA1CYP3A4MAPK1SELLSELP
SCHEMBL15975985 0.85 ALDH1A1 (0.37) GBA1CYP3A4MAPK1BCHE
SCHEMBL16770477 0.85 ALDH1A1 (0.37) GBA1CYP3A4MAPK1BCHE
SCHEMBL15975868 0.85 ALDH1A1 (0.37) GBA1CYP3A4MAPK1BCHE
SCHEMBL13699176 0.82 GJB2 (0.41) VEGFABMP2CXCL12SHHFGF1
SCHEMBL16492113 0.81 GBA1 (0.39) GBA1CYP3A4MAPK1BCHE
SCHEMBL15975866 0.79 GBA1 (0.42) GBA1CYP3A4MAPK1BCHE
SCHEMBL15976022 0.78 TNF (0.38) GBA1CYP3A4MAPK1BCHE
SCHEMBL13166717 0.78 BCHE (0.43) GBA1CYP3A4MAPK1BCHE
SCHEMBL15975989 0.78 BCHE (0.43) GBA1CYP3A4MAPK1BCHE

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 2 patents. 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
US-8815239-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2014-08-26 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 GBA1 296/4885CYP3A4 4622/4885MAPK1 1863/4885

“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.