SCHEMBL10209192

SCHEMBL10209192

CO[C@@H]1OC2COC(C)(C)O[C@H]2C(O)C1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ YWHAZ P63104 3/20 0.33
▸ ASGR1 P07306 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ LGALS3 P17931 2/20 0.32
▸ LGALS1 P09382 1/20 0.32
▸ LGALS7; LGALS7B P47929 1/20 0.32

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
SCHEMBL12560770 0.88 MAPK1 (0.40) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL12560739 0.84 ALDH1A1 (0.37) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL8823006 0.84 KMT2A (0.47) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL16367194 0.84 KMT2A (0.47) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL16864092 0.84 KMT2A (0.47) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL2503399 0.84 KMT2A (0.47) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL12391259 0.84 KMT2A (0.47) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL17231142 0.84 ALDH1A1 (0.49) ALDH1A1PKML3MBTL1KMT2ATHRB
SCHEMBL16135488 0.83 MAPK1 (0.39) ALDH1A1PKML3MBTL1KMT2ACA2
SCHEMBL13129796 0.83 KMT2A (0.37) ALDH1A1PKML3MBTL1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20130243751-A1 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI FUT6, GNE, STT3B ALDH1A1 3621/4885PKM 4391/4885L3MBTL1 2092/4885

“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.

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