SCHEMBL13077119

SCHEMBL13077119

CC(CCC(=O)NCCNCc1ccc(CN2CCCNCCNCCCNCC2)cc1)C(COC1OC(CO)C(O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1OC(=O)c1ccccc1)OC1OC(C)C(O)C(O)C1O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.45
▸ SELP P16109 8/20 0.42

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
SCHEMBL13077121 0.89 SELE (0.40) SELESELP
SCHEMBL13040184 0.83 SELE (0.53) SELESELP
SCHEMBL13077517 0.83 SELE (0.42) SELE
SCHEMBL13077120 0.79 SELE (0.42) SELESELP
SCHEMBL13040167 0.78 SELE (0.57) SELESELP
SCHEMBL13040187 0.77 SELE (0.54) SELESELP
SCHEMBL19508550 0.77 SELE (0.55) SELESELP
SCHEMBL19508546 0.77 SELE (0.55) SELESELP
SCHEMBL806989 0.77 SELE (0.45) SELESELP
SCHEMBL12630606 0.76 SELE (0.57) 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 12/4885

“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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