SCHEMBL2804636

SCHEMBL2804636

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 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
SCHEMBL13129921 1.00 PDPK1 (0.43) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL13130040 0.91 PDPK1 (0.47) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL13130008 0.91 PDPK1 (0.47) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL13129838 0.91 PDPK1 (0.47) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL13129987 0.91 PDPK1 (0.47) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL13129911 0.91 PDPK1 (0.47) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL13129806 0.91 PDPK1 (0.47) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL23867788 0.89 PDPK1 (0.39) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL15975390 0.89 ALDH1A1 (0.38) PDPK1MTORALDH1A1TSHRLMNA
SCHEMBL13129885 0.89 ALDH1A1 (0.38) PDPK1MTORALDH1A1TSHRLMNA

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 7 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
EP-2164521-A2 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST<I>SHIGELLA FLEXNERI</I>SEROTYPE 3A AND X Institut Pasteur (FR) 2010-03-24 EP disclosed
WO-2008155487-A2 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X INSTITUT PASTEUR (FR) 2008-12-24 WO 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 PDPK1 2271/4885MTOR 4257/4885ALDH1A1 3090/4885
US-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A PDPK1 2271/4885MTOR 4257/4885ALDH1A1 3090/4885
US-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A PDPK1 2271/4885MTOR 4257/4885ALDH1A1 3090/4885

“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.