SCHEMBL19508765

SCHEMBL19508765

CCC1CC(C(=O)NCCN)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(OC(CC3CCCCC3)C(=O)O)C2NC(C)=O)C1O[C@@H](CO)OC(C)[C@@H](O)C(C)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 15/20 0.58
▸ MAPK1 P28482 1/20 0.33
▸ MAG P20916 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL19479268 0.85 SELE (0.79) SELE
SCHEMBL16661864 0.85 SELE (0.79) SELE
SCHEMBL19772824 0.85 SELE (0.79) SELE
SCHEMBL19508734 0.85 SELE (0.79) SELE
SCHEMBL17777238 0.85 SELE (0.79) SELE
SCHEMBL19491793 0.85 SELE (0.79) SELE
SCHEMBL17777179 0.85 SELE (0.79) SELE
SCHEMBL19508731 0.85 SELE (0.79) SELE
SCHEMBL23943292 0.84 SELE (0.57) SELEMAG
SCHEMBL21993227 0.84 SELE (0.58) SELEMAPK1MAGALDH1A1THRB

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-10519181-B2 Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors GLYCOMIMETICS, INC. (US) 2019-12-31 — — US disclosed
US-20170305951-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2017-10-26 — — 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 (2 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-10519181-B2 Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors CXCL12, CXCR4, SELE SELE 3/4885MAPK1 2477/4885MAG 2339/4885
US-20170305951-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE SELE 3/4885MAPK1 2477/4885MAG 2339/4885

“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.

Send feedback