SCHEMBL13077060

SCHEMBL13077060

CC(=O)NC1C(OCC(C)C)OC(CO)C(O)C1O[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 12/20 0.54
▸ MAPK1 P28482 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ LGALS8 O00214 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS4 P56470 1/20 0.39
▸ CD69 Q07108 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13077746 0.88 SELE (0.50) SELEMAPK1ALDH1A1THRB
SCHEMBL13077385 0.87 SELE (0.49) SELELGALS3
SCHEMBL13077057 0.78 SELE (0.57) SELELGALS3LGALS4
SCHEMBL19479229 0.78 SELE (0.44) SELEMAPK1ALDH1A1THRB
SCHEMBL19479292 0.78 SELE (0.52) SELEMAPK1ALDH1A1THRB
SCHEMBL17881699 0.77 SELE (0.45) SELEMAPK1ALDH1A1THRB
SCHEMBL16659817 0.76 SELE (0.74) SELEMAPK1
SCHEMBL18653472 0.76 SELE (0.64) SELEMAPK1
SCHEMBL22798303 0.76 SELE (0.64) SELEMAPK1
SCHEMBL21206347 0.75 SELE (0.69) SELEMAPK1ALDH1A1THRB

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 3/4885MAPK1 2516/4885ALDH1A1 524/4885

“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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