SCHEMBL16489961

SCHEMBL16489961

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)C1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAG P20916 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ TP53 P04637 2/20 0.32
▸ MDM2 Q00987 2/20 0.32
▸ GJB2 P29033 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ KMT2A Q03164 1/20 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
▸ LGALS3 P17931 2/20 0.31
▸ YWHAZ P63104 1/20 0.31
▸ LGALS9 O00182 1/20 0.31
▸ LGALS7; LGALS7B P47929 1/20 0.31
▸ SELE P16581 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
SCHEMBL16489957 0.96 LMNA (0.35) MAGL3MBTL1SLC6A2TP53MDM2
SCHEMBL16489956 0.91 LMNA (0.36) L3MBTL1TP53MDM2LMNAKMT2A
SCHEMBL16489966 0.88 L3MBTL1 (0.36) MAGL3MBTL1SLC6A2TP53MDM2
SCHEMBL16489965 0.87 L3MBTL1 (0.38) MAGL3MBTL1SLC6A2TP53MDM2
SCHEMBL15975411 0.87 TP53 (0.39) MAGL3MBTL1TP53MDM2GJB2
SCHEMBL16489967 0.86 LMNA (0.37) MAGL3MBTL1TP53MDM2GJB2
SCHEMBL16489972 0.86 LMNA (0.37) MAGL3MBTL1TP53MDM2GJB2
SCHEMBL16489970 0.86 LMNA (0.38) MAGL3MBTL1SLC6A2TP53MDM2
SCHEMBL15975395 0.86 PTPN1 (0.41) MAGL3MBTL1TP53MDM2GJB2
SCHEMBL13129955 0.86 PTPN1 (0.41) MAGL3MBTL1TP53MDM2GJB2

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 MAG 324/4885L3MBTL1 4017/4885SLC6A2 2998/4885

“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.

Send feedback