SCHEMBL1647937

SCHEMBL1647937

CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H]3COC(C)(C)O[C@H]3[C@H](OC)[C@H]2OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.47
▸ PTPN1 P18031 15/20 0.43
▸ GJB2 P29033 1/20 0.42
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ PTPN2 P17706 6/20 0.40
▸ PTPN11 Q06124 3/20 0.40
▸ PTPN6 P29350 2/20 0.38
▸ CDC25B P30305 1/20 0.37

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
SCHEMBL1647905 0.91 GJB2 (0.50) NT5EPTPN1GJB2SSTR1SSTR2
SCHEMBL1647584 0.87 SSTR1 (0.45) NT5EPTPN1GJB2SSTR1SSTR2
SCHEMBL21233296 0.81 NT5E (0.51) NT5EPTPN1GJB2SSTR1SSTR2
SCHEMBL13058736 0.81 NT5E (0.54) NT5EPTPN1SSTR1SSTR2SSTR4
SCHEMBL14428921 0.81 NT5E (0.63) NT5EPTPN1SSTR1SSTR2SSTR4
SCHEMBL22677692 0.78 SSTR1 (0.57) NT5EPTPN1GJB2SSTR1SSTR2
SCHEMBL22678415 0.78 SSTR1 (0.57) NT5EPTPN1GJB2SSTR1SSTR2
SCHEMBL22677699 0.78 SSTR1 (0.57) NT5EPTPN1GJB2SSTR1SSTR2
SCHEMBL8331303 0.78 NT5E (0.55) NT5EPTPN1GJB2SSTR1SSTR2
SCHEMBL8468516 0.78 NT5E (0.55) NT5EPTPN1GJB2SSTR1SSTR2

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-7919614-B2 Disaccharide sequences formed by uronic acid and hexose as to form polysaccharides of 8-24 monosaccharide units whose hydroxyl groups are substituted by alkyl or sulphate groups; possible to modulate activities of glycosaminoglycans type SANOFI-AVENTIS (FR) 2011-04-05 — — US disclosed
US-20040068108-A1 Synthetic polysaccharides, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2004-04-08 — — US disclosed
EP-0904299-B1 SYNTHETIC POLYSACCHARIDES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID POLYSACCHARIDES SANOFI SYNTHELABO (FR) 2001-08-29 — — EP 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-20040068108-A1 Synthetic polysaccharides, process for their preparation and pharmaceutical compositions containing them UGGT1, GALE, UGDH NT5E 2648/4885PTPN1 1990/4885GJB2 4802/4885

“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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