SCHEMBL13130034

SCHEMBL13130034

CC(=O)NC1[C@H](OC2[C@H](C)OC(C)[C@H](OCc3ccccc3)[C@@H]2O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(C)C2OCc2ccccc2)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ LGALS3 P17931 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ HRAS P01112 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ LGALS1 P09382 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ GJB2 P29033 1/20 0.41
▸ MAG P20916 1/20 0.41

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
SCHEMBL15975418 0.94 TP53 (0.45) POLBLGALS3TP53MDM2HRAS
SCHEMBL13130031 0.87 PTPN1 (0.45) GJB2
SCHEMBL15975417 0.87 GJB2 (0.41) TP53MDM2GJB2
SCHEMBL16489968 0.86 SLC6A2 (0.44) POLBLGALS3HRASCD69
SCHEMBL11170193 0.86 MAG (0.49) POLBLGALS3TP53MDM2HRAS
SCHEMBL11170198 0.86 MAG (0.49) POLBLGALS3TP53MDM2HRAS
SCHEMBL11494535 0.86 MAG (0.49) POLBLGALS3TP53MDM2HRAS
SCHEMBL13130039 0.86 LMNA (0.43) POLBLGALS3TP53MDM2GJB2
SCHEMBL15975416 0.86 LMNA (0.43) POLBLGALS3TP53MDM2GJB2
SCHEMBL13129953 0.82 MAG (0.45) LGALS3TP53MDM2LGALS1LGALS7; LGALS7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A POLB 4459/4885LGALS3 9/4885TP53 3068/4885

“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