SCHEMBL19943732

SCHEMBL19943732

CCC1CC(C(=O)OC)C[C@@H](O[C@@H]2O[C@@H](CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)C1OC1O[C@@H](C)C(O)C(O)[C@@H]1O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 16/20 0.73
▸ SELL P14151 1/20 0.38
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL17151670 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL19772831 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL16661849 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL17148782 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL17777144 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL23026833 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL19479293 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL22006661 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL22898057 1.00 SELE (0.73) SELESELLMAPK1
SCHEMBL19943733 1.00 SELE (0.73) SELESELLMAPK1

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-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2018-03-08 — — 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-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885SELL 4/4885MAPK1 2167/4885

“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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