SCHEMBL16489966

SCHEMBL16489966

CC(=O)N[C@H]1C(O)[C@@H]2OC(C)(C)OCC2O[C@H]1OC1[C@H](OC2[C@H](C)OC(C)[C@H](C)[C@@H]2C)OC(C)[C@H](C)[C@@H]1O[C@H]1O[C@@H](COCc2ccccc2)[C@@H](C)C(C)C1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ MAG P20916 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MDM2 Q00987 2/20 0.32
▸ LGALS3 P17931 2/20 0.32
▸ LGALS9 O00182 1/20 0.32
▸ LGALS7; LGALS7B P47929 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ GJB2 P29033 2/20 0.31
▸ MDM4 O15151 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ SSTR4 P31391 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ YWHAZ P63104 1/20 0.31
▸ PKM P14618 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
SCHEMBL16489965 0.96 L3MBTL1 (0.38) L3MBTL1SLC6A2MAGTP53MDM2
SCHEMBL16489972 0.92 LMNA (0.37) L3MBTL1MAGTP53MDM2LMNA
SCHEMBL16489967 0.92 LMNA (0.37) L3MBTL1MAGTP53MDM2LMNA
SCHEMBL15975420 0.90 L3MBTL1 (0.39) L3MBTL1SLC6A2MAGTP53MDM2
SCHEMBL16489970 0.89 LMNA (0.38) L3MBTL1SLC6A2MAGTP53MDM2
SCHEMBL16489961 0.88 MAG (0.35) L3MBTL1SLC6A2MAGTP53MDM2
SCHEMBL16489957 0.86 LMNA (0.35) L3MBTL1SLC6A2MAGTP53MDM2
SCHEMBL13130041 0.85 PTPN1 (0.41) L3MBTL1MAGTP53MDM2GJB2
SCHEMBL13130036 0.85 PTPN1 (0.41) L3MBTL1MAGTP53MDM2GJB2
SCHEMBL16489956 0.85 LMNA (0.36) L3MBTL1TP53MDM2LMNAKMT2A

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 L3MBTL1 4017/4885SLC6A2 2998/4885MAG 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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