SCHEMBL712181

SCHEMBL712181

O=C(NC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31734135 0.86 ALDH1A1 (0.39) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL3136565 0.83 ALDH1A1 (0.44) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL6969487 0.83 ALDH1A1 (0.37) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL13436162 0.81 CRBN (0.41) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL1563693 0.81 CRBN (0.41) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL4119686 0.76 L3MBTL1 (0.46) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL6234856 0.76 L3MBTL1 (0.32) ALDH1A1TP53TSHRL3MBTL1
SCHEMBL6959890 0.76 L3MBTL1 (0.32) ALDH1A1TP53TSHRL3MBTL1
SCHEMBL11318749 0.76 ALDH1A1 (0.32) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL6959896 0.76 L3MBTL1 (0.37) ALDH1A1TP53TSHRL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446109-B2 Glycoconjugates and their use as potential vaccines against infection by Shigella flexneri INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-09-20 US disclosed
EP-2369345-B1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri PASTEUR INSTITUT (FR) 2014-10-01 EP disclosed
US-20140161793-A2 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI INSERM (FR) 2014-06-12 US disclosed
US-20130243751-A1 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI CNRS (CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE 2013-09-19 US disclosed
US-8124380-B2 Oligo/polysaccharides bound to carrier; immunogens; monoclonal antibodies; chimeric antibodies; kits; host cells; transgenic plants/animals INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2012-02-28 US disclosed
EP-2369345-A1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri Institut Pasteur (FR) 2011-09-28 EP disclosed
EP-1642132-B1 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI PASTEUR INSTITUT (FR) 2011-06-22 EP disclosed
US-20080112951-A1 Glycoconjugates and Their Use as Potential Vaccines Against Infection by Shigella Flexneri CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-05-15 US disclosed
EP-1642132-A2 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI INSTITUT PASTEUR (FR) 2006-04-05 EP disclosed
WO-2005003775-A2 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI INSTITUT PASTEUR (FR) 2005-01-13 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 (2 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-20130243751-A1 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI FUT6, GNE, STT3B ALDH1A1 3621/4885TP53 3163/4885TSHR 3217/4885
US-20140161793-A2 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI FUT6, GNE, STT3B ALDH1A1 3621/4885TP53 3163/4885TSHR 3217/4885

“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.