SCHEMBL11962144

SCHEMBL11962144

COC(=O)C1CC(C)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(OC3(C(=O)OC)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAG P20916 11/20 0.53
▸ SELE P16581 6/20 0.52
▸ SELP P16109 2/20 0.51
▸ SELL P14151 1/20 0.51

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
SCHEMBL12257341 0.94 SELE (0.48) MAGSELESELPSELL
SCHEMBL11962138 0.92 MAG (0.50) MAGSELESELPSELL
SCHEMBL11962136 0.91 MAG (0.54) MAGSELESELPSELL
SCHEMBL11962142 0.90 SELP (0.57) MAGSELESELPSELL
SCHEMBL12421186 0.85 SELE (0.50) MAGSELESELPSELL
SCHEMBL12257326 0.85 SELE (0.46) MAGSELESELPSELL
SCHEMBL12257320 0.83 MAG (0.50) MAGSELESELPSELL
SCHEMBL12257344 0.83 SELL (0.52) MAGSELESELPSELL
SCHEMBL2959442 0.83 SELP (0.46) MAGSELESELPSELL
SCHEMBL11962137 0.82 SELP (0.53) MAGSELESELPSELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 — — US disclosed
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
US-20110002881-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE (AU) 2011-01-06 — — 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 (5 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 MAG 1778/4885SELE 2/4885SELP 1/4885
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, ENGASE, FUT5 MAG 173/4885SELE 158/4885SELP 260/4885
US-20110002881-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELPLG MAG 1675/4885SELE 2/4885SELP 1/4885
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, B3GNT2, FUT5 MAG 163/4885SELE 622/4885SELP 860/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE MAG 979/4885SELE 3/4885SELP 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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