SCHEMBL13077061

SCHEMBL13077061

CCCCCCC[C@H](OC1C(OC(=O)c2ccccc2)[C@H](O[C@@H]2CC(C(=O)OC)CC(C)C2O[C@@H]2OC(C)[C@@H](O)C(O)C2O)OC(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 10/20 0.48
▸ SELP P16109 9/20 0.48
▸ TLR4 O00206 1/20 0.34
▸ CD44 P16070 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
SCHEMBL13077063 0.91 SELE (0.57) SELESELP
SCHEMBL12309117 0.88 SELE (0.59) SELESELP
SCHEMBL14823285 0.88 SELE (0.59) SELESELP
SCHEMBL14944255 0.85 SELE (0.50) SELESELP
SCHEMBL11982132 0.79 SELE (0.70) SELESELP
SCHEMBL14823284 0.78 SELE (0.45) SELESELP
SCHEMBL11982131 0.78 SELE (0.45) SELESELP
SCHEMBL22247242 0.78 SELE (0.41) SELESELP
SCHEMBL11962140 0.78 SELE (0.68) SELESELP
SCHEMBL13312082 0.77 SELE (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 — — 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-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE SELE 3/4885SELP 12/4885TLR4 986/4885

“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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