SCHEMBL16489957

SCHEMBL16489957

CC(=O)NC1[C@H](C)OC2COC(C)(C)O[C@H]2[C@@H]1O[C@@H]1OC(C)[C@H](C)[C@H](O[C@@H]2OC(C)[C@H](C)[C@H](C)C2O[C@@H]2OC(C)[C@H](C)[C@H](O[C@H]3O[C@@H](COCc4ccccc4)[C@@H](C)C(C)C3C)C2O)C1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAG P20916 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GJB2 P29033 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL16489961 0.96 MAG (0.35) LMNAKMT2AMAGSLC6A2L3MBTL1
SCHEMBL16489956 0.96 LMNA (0.36) LMNAKMT2AL3MBTL1POLBTP53
SCHEMBL16489972 0.91 LMNA (0.37) LMNAKMT2AMAGL3MBTL1POLB
SCHEMBL16489970 0.90 LMNA (0.38) LMNAKMT2AMAGSLC6A2L3MBTL1
SCHEMBL16489967 0.89 LMNA (0.37) LMNAKMT2AMAGL3MBTL1POLB
SCHEMBL15975409 0.86 TP53 (0.37) LMNAKMT2AMAGL3MBTL1POLB
SCHEMBL16489966 0.86 L3MBTL1 (0.36) LMNAKMT2AMAGSLC6A2L3MBTL1
SCHEMBL15975394 0.85 PTPN1 (0.38) LMNAKMT2AMAGL3MBTL1POLB
SCHEMBL13129950 0.85 PTPN1 (0.38) LMNAKMT2AMAGL3MBTL1POLB
SCHEMBL16489958 0.85 LGALS8 (0.40) LMNAKMT2AMAGSLC6A2POLB

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 1 patent. 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

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-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A LMNA 3255/4885KMT2A 3430/4885MAG 324/4885

“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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