SCHEMBL13129796

SCHEMBL13129796

CC(=O)NC1[C@H](C)OC2COC(C)(C)O[C@H]2[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ CA2 P00918 5/20 0.35
▸ CA1 P00915 3/20 0.35
▸ ASGR1 P07306 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA9 Q16790 1/20 0.32
▸ PKM P14618 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
SCHEMBL2503399 0.87 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL12391259 0.87 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL8823006 0.87 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL16864092 0.87 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL16367194 0.87 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL10209192 0.83 ALDH1A1 (0.40) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL12560770 0.81 MAPK1 (0.40) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL25509870 0.80 CA2 (0.35) CA2CA1CA9
SCHEMBL25510322 0.80 CA2 (0.35) CA2CA1CA9
SCHEMBL12560739 0.78 ALDH1A1 (0.37) KMT2ACA2CA1ALDH1A1L3MBTL1

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-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 (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-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A KMT2A 3430/4885CA2 3218/4885CA1 1299/4885
US-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A KMT2A 3430/4885CA2 3218/4885CA1 1299/4885

“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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