SCHEMBL11962146

SCHEMBL11962146

COC(=O)C1CC(C)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)OC)C2O)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 16/20 0.66
▸ STAT3 P40763 3/20 0.39
▸ SELP P16109 1/20 0.36

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
SCHEMBL9613573 0.95 SELE (0.64) SELESTAT3SELP
SCHEMBL12257338 0.91 SELE (0.62) SELESTAT3
SCHEMBL11962133 0.89 SELE (0.82) SELESTAT3SELP
SCHEMBL11962140 0.88 SELE (0.68) SELESELP
SCHEMBL9613593 0.84 SELE (0.66) SELESELP
SCHEMBL11982132 0.83 SELE (0.70) SELESELP
SCHEMBL14217738 0.83 SELE (0.82) SELESTAT3SELP
SCHEMBL11962141 0.81 SELE (0.67) SELESELP
SCHEMBL17903035 0.80 SELE (1.00) SELESTAT3SELP
SCHEMBL12257332 0.80 SELE (0.65) SELESELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 — — US disclosed
US-9254322-B2 Compositions comprising E-selectin antagonists and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2016-02-09 — — US disclosed
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2012-08-09 — — US disclosed
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2011-10-20 — — US disclosed
US-20110020270-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE 2011-01-27 — — 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 (4 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-20110020270-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELL SELE 2/4885STAT3 1382/4885SELP 1/4885
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, ENGASE, FUT5 SELE 158/4885STAT3 4838/4885SELP 260/4885
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, B3GNT2, FUT5 SELE 622/4885STAT3 4744/4885SELP 860/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE SELE 3/4885STAT3 900/4885SELP 2/4885

“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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