Neu5Ac2En

Neu5Ac2En

SCHEMBL2619259

CC(=O)NC1C(O)C=C(C(=O)O)OC1C(O)C(O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 11/20 1.00
NEU1 Q99519 11/20 1.00
NEU3 Q9UQ49 7/20 1.00
NEU4 Q8WWR8 6/20 1.00

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
Neu5Ac2En SCHEMBL22263416 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL10054709 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL19454809 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL14080015 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL2631455 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL24387783 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL13839147 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL21125943 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
SCHEMBL21126049 0.89 NEU1 (0.80) NEU2NEU1NEU3NEU4
SCHEMBL22111620 0.89 NEU1 (0.80) NEU2NEU1NEU3NEU4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
US-20090036386-A1 Heterobifunctional compounds for selectin inhibition GLYCOMIMETICS, INC (US) 2009-02-05 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-20090036386-A1 Heterobifunctional compounds for selectin inhibition SELE, SELL, BSG NEU2 29/4885NEU1 30/4885NEU3 46/4885
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH3, HRH2 NEU2 41/4885NEU1 20/4885NEU3 29/4885

“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.