SCHEMBL2010024

SCHEMBL2010024

CC[C@H]1CCC[C@@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H](O[C@@H](CC3CCCCC3)C(=O)OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SELE P16581 12/20 0.58
SELP P16109 8/20 0.36
NT5E P21589 1/20 0.33
FGF2 P09038 1/20 0.33
MDK P21741 1/20 0.33

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
SCHEMBL2010025 1.00 SELE (0.58) SELESELPNT5EFGF2MDK
SCHEMBL14932018 0.94 SELE (0.52) SELESELPNT5EFGF2MDK
SCHEMBL14932017 0.94 SELE (0.52) SELESELPNT5EFGF2MDK
SCHEMBL11898820 0.94 SELE (0.52) SELESELPNT5EFGF2MDK
SCHEMBL11899209 0.92 SELE (0.49) SELESELPNT5EFGF2MDK
SCHEMBL11899208 0.92 SELE (0.49) SELESELPNT5EFGF2MDK
SCHEMBL11898864 0.92 SELE (0.48) SELESELPNT5EFGF2MDK
SCHEMBL11898865 0.92 SELE (0.48) SELESELPNT5EFGF2MDK
SCHEMBL11982149 0.91 SELE (0.51) SELESELPFGF2MDK
SCHEMBL12246579 0.89 SELE (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7964569-B2 Oligosaccharide mimetics such as {(1R,2R,3S)-2-[(6-Deoxy- alpha -L-Galactopyranosyl)Oxy]-3-Ethyl-Cyclohex-1-yl}2-O-Benzoyl-3-O-[(1S)-1-Carboxy-2-Cyclohexyl-Ethyl]- beta -D-Galactopyranoside GLYCOMIMETICS, INC. (US) 2011-06-21 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-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, ENGASE, FUT5 SELE 158/4885SELP 260/4885NT5E 645/4885

“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.