SCHEMBL17881669

SCHEMBL17881669

CCCCCC[C@H](COC1O[C@@H](C)C(O)[C@H](O)[C@@H]1O)O[C@@H]1O[C@@H](CO)[C@H](O)C(O[C@@H](CC2CCCCC2)C(N)=O)C1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.48
▸ SELL P14151 3/20 0.45
▸ SELP P16109 2/20 0.42
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL17011118 0.88 SELE (0.46) SELESELLSELPMAPK1
SCHEMBL16661825 0.86 SELE (0.54) SELESELLSELP
SCHEMBL17881699 0.85 SELE (0.45) SELESELLSELPMAPK1
SCHEMBL16661824 0.82 SELE (0.49) SELESELLSELP
SCHEMBL16661872 0.81 SELE (0.42) SELESELLSELP
SCHEMBL19479261 0.78 SELE (0.45) SELESELLMAPK1
SCHEMBL18027906 0.78 SELE (0.71) SELESELL
SCHEMBL17881672 0.78 SELE (0.46) SELESELLSELP
SCHEMBL16661828 0.78 SELE (0.71) SELESELL
SCHEMBL17777231 0.76 SELE (0.50) SELESELLSELP

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-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells GLYCOMIMETICS, INC. (US) 2016-06-30 — — 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-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells SELE, SELP, SELPLG SELE 1/4885SELL 4/4885SELP 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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