SCHEMBL17011118

SCHEMBL17011118

CCCCC(C[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)C(=O)NCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.46
▸ SELL P14151 3/20 0.38
▸ SELP P16109 2/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ PGR P06401 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL16661872 0.93 SELE (0.42) SELESELLSELP
SCHEMBL16661824 0.92 SELE (0.49) SELESELLSELP
SCHEMBL17881669 0.88 SELE (0.48) SELESELLSELPMAPK1
SCHEMBL18027914 0.84 SELE (0.45) SELESELL
SCHEMBL19479261 0.82 SELE (0.45) SELESELLMAPK1
SCHEMBL17777231 0.79 SELE (0.50) SELESELLSELP
SCHEMBL19491871 0.77 SELE (0.49) SELESELLSELPMAPK1
SCHEMBL17151747 0.77 SELE (0.43) SELESELP
SCHEMBL17881678 0.75 SELE (0.76) SELESELL
SCHEMBL24489392 0.75 SELE (0.49) SELESELLSELPMAPK1

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-20160145290-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. 2016-05-26 — — US disclosed
US-9109002-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2015-08-18 — — 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-20160145290-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885SELL 4/4885SELP 3/4885

“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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