SCHEMBL2803497

SCHEMBL2803497

CC(=O)O[C@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LGALS8 O00214 1/20 0.42
SLC6A2 P23975 1/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
LMNA P02545 2/20 0.39
NT5E P21589 1/20 0.37
TSHR P16473 1/20 0.36
TACR2 P21452 1/20 0.36
RPS6KA3 P51812 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13129920 1.00 ALDH1A1 (0.42) ALDH1A1LGALS8SLC6A2PDPK1MTOR
SCHEMBL6219718 0.90 PDPK1 (0.44) ALDH1A1PDPK1MTORLMNANT5E
SCHEMBL13129784 0.89 SLC6A2 (0.41) ALDH1A1LGALS8SLC6A2PDPK1MTOR
SCHEMBL15975400 0.89 SLC6A2 (0.41) ALDH1A1LGALS8SLC6A2PDPK1MTOR
SCHEMBL13129990 0.89 SLC6A2 (0.41) ALDH1A1LGALS8SLC6A2PDPK1MTOR
SCHEMBL13129907 0.88 PDPK1 (0.43) ALDH1A1PDPK1MTORLMNANT5E
SCHEMBL8650408 0.87 ALDH1A1 (0.42) ALDH1A1PDPK1MTORLMNANT5E
SCHEMBL26759982 0.85 ALDH1A1 (0.42) ALDH1A1LGALS8SLC6A2PDPK1MTOR
SCHEMBL15975387 0.84 ALDH1A1 (0.44) ALDH1A1LGALS8PDPK1MTORLMNA
SCHEMBL13129878 0.84 ALDH1A1 (0.44) ALDH1A1LGALS8PDPK1MTORLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087242-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2018-10-02 US disclosed
EP-2164521-B1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X PASTEUR INSTITUT (FR) 2018-09-12 EP disclosed
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
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 (3 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-10087242-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X ST3GAL3, SI, STT3A ALDH1A1 3090/4885LGALS8 130/4885SLC6A2 2998/4885
US-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A ALDH1A1 3090/4885LGALS8 130/4885SLC6A2 2998/4885
US-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A ALDH1A1 3090/4885LGALS8 130/4885SLC6A2 2998/4885

“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.