SCHEMBL13077385

SCHEMBL13077385

CC(C)COC1OC(CO)C(O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 10/20 0.49
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ LGALS9 O00182 1/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ HK1 P19367 2/20 0.41
▸ HK2 P52789 2/20 0.41

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
SCHEMBL13077060 0.87 SELE (0.54) SELELGALS3
SCHEMBL13077057 0.85 SELE (0.57) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL13077746 0.83 SELE (0.50) SELE
SCHEMBL12310109 0.79 SELE (0.54) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12631208 0.79 SELE (0.53) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12239769 0.74 SELE (0.59) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14823281 0.74 SELE (0.55) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8514368 0.74 SELE (0.55) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8514365 0.74 SELE (0.55) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8515435 0.74 SELE (0.55) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B

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 3/4885CA1 3439/4885CA2 4330/4885

“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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