SCHEMBL2631658

SCHEMBL2631658

CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(N)=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 7/20 0.73
NEU3 Q9UQ49 5/20 0.71
NEU4 Q8WWR8 5/20 0.71
NEU1 Q99519 5/20 0.71
LMNA P02545 1/20 0.71

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
SCHEMBL28036256 1.00 NEU2 (0.73) NEU2NEU3NEU4NEU1LMNA
SCHEMBL6018157 0.93 NEU2 (0.78) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL496815 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL11946705 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13169991 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL12367840 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13693731 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13459831 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL456058 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL15448958 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA

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
CN-105017193-A Preparation method of zanamivir impurity JIANGSU SIMCERE PHARMACEUTICAL 2015-11-04 CN 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

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-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 41/4885NEU3 29/4885NEU4 19/4885

“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.