SCHEMBL2804927

SCHEMBL2804927

C=CCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
LMNA P02545 2/20 0.36
BCHE P06276 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1973526 0.89 PDPK1 (0.34) ALDH1A1CYP2D6PDPK1MTORBCHE
SCHEMBL7903447 0.88 SSTR1 (0.39) ALDH1A1PDPK1MTORBCHEALOX15
SCHEMBL8814600 0.87 PDPK1 (0.40) ALDH1A1CYP2D6MAPK1PDPK1MTOR
SCHEMBL23867778 0.87 ALDH1A1 (0.33) ALDH1A1CYP2D6MAPK1PDPK1MTOR
SCHEMBL26759988 0.87 ALDH1A1 (0.33) ALDH1A1CYP2D6MAPK1PDPK1MTOR
SCHEMBL13129907 0.87 PDPK1 (0.43) ALDH1A1CYP2D6MAPK1PDPK1MTOR
SCHEMBL9800986 0.85 SLC6A2 (0.41) ALDH1A1CYP2D6MAPK1LMNATSHR
SCHEMBL6219718 0.83 PDPK1 (0.44) ALDH1A1PDPK1MTORLMNABCHE
SCHEMBL13129987 0.83 PDPK1 (0.47) ALDH1A1CYP2D6MAPK1PDPK1MTOR
SCHEMBL13129911 0.83 PDPK1 (0.47) ALDH1A1CYP2D6MAPK1PDPK1MTOR

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 3090/4885CYP2D6 4359/4885MAPK1 1863/4885
US-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A ALDH1A1 3090/4885CYP2D6 4359/4885MAPK1 1863/4885
US-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A ALDH1A1 3090/4885CYP2D6 4359/4885MAPK1 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.