SCHEMBL3756791

SCHEMBL3756791

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 1/20 0.46
▸ SSTR2 P30874 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ SSTR3 P32745 1/20 0.46
▸ SSTR5 P35346 1/20 0.46
▸ PTPN1 P18031 9/20 0.46
▸ PTPN2 P17706 4/20 0.46
▸ PTPN11 Q06124 3/20 0.46
▸ NT5E P21589 1/20 0.45
▸ CDC25B P30305 5/20 0.45
▸ GJB2 P29033 1/20 0.45
▸ TACR2 P21452 2/20 0.44
▸ SELP P16109 2/20 0.44
▸ PTPN6 P29350 2/20 0.44
▸ TNF P01375 1/20 0.42

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
SCHEMBL13449599 0.87 PTPN1 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL11584750 0.86 NT5E (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7933032 0.86 NT5E (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL11581477 0.86 NT5E (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13058749 0.86 NT5E (0.39) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL3758159 0.83 GJB2 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13058715 0.83 GJB2 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL3760613 0.83 GJB2 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13058745 0.83 GJB2 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13058741 0.83 GJB2 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2010-11-25 — — US disclosed
EP-2114979-A2 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES Industrial Research Limited (NZ) 2009-11-11 — — EP disclosed
WO-2008075983-A2 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-06-26 — — WO 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-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES PIK3CA, PIK3CB, PIK3CG SSTR1 2404/4885SSTR2 2373/4885SSTR4 2329/4885

“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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