SCHEMBL13129835

SCHEMBL13129835

CO[C@@H]1OC(C)[C@H](OCc2ccccc2)[C@H](O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 1/20 0.54
▸ SSTR2 P30874 1/20 0.54
▸ SSTR4 P31391 1/20 0.54
▸ SSTR3 P32745 1/20 0.54
▸ SSTR5 P35346 1/20 0.54
▸ GJB2 P29033 2/20 0.50
▸ PTPN1 P18031 10/20 0.48
▸ PTPN2 P17706 5/20 0.47
▸ PTPN11 Q06124 3/20 0.47
▸ NT5E P21589 1/20 0.46
▸ CDC25B P30305 6/20 0.45
▸ PTPN6 P29350 2/20 0.44

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
SCHEMBL15975382 0.93 SSTR1 (0.53) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13130007 0.93 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL15975388 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13129827 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13129826 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13129789 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13129876 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13129935 0.89 GJB2 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14428879 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14428868 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5

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-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 SSTR1 1053/4885SSTR2 2046/4885SSTR4 1004/4885

“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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