SCHEMBL13040172

SCHEMBL13040172

CC1OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(CCc3ccc(CN4CCCNCCNCCCNCC4)cc3)CC2OC2OC(CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)c2ccccc2)C(O)C(O)C1O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.46
▸ SELP P16109 1/20 0.31

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
SCHEMBL13040208 0.93 SELE (0.54) SELESELP
SCHEMBL13040169 0.84 SELE (0.51) SELE
SCHEMBL13040187 0.84 SELE (0.54) SELESELP
SCHEMBL13040170 0.83 SELE (0.49) SELESELP
SCHEMBL13040167 0.81 SELE (0.57) SELESELP
SCHEMBL13040185 0.79 SELE (0.50) SELE
SCHEMBL13657266 0.78 SELE (0.65) SELESELP
SCHEMBL15214014 0.78 SELE (0.65) SELESELP
SCHEMBL13040186 0.78 SELE (0.51) SELE
SCHEMBL19499917 0.78 SELE (0.53) SELE

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-8410066-B2 Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors GLYCOMIMETICS, INC. (US) 2013-04-02 — — US disclosed
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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