SCHEMBL22276779

SCHEMBL22276779

CCCCC(CCCC)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O

nearest known ligand 0.92

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NEU1 Q99519 16/20 0.92
▸ NEU2 Q9Y3R4 11/20 0.74
▸ NEU4 Q8WWR8 6/20 0.73
▸ NEU3 Q9UQ49 6/20 0.70

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
SCHEMBL22276783 0.96 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22276995 0.91 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL6017920 0.89 NEU1 (0.84) NEU1NEU2NEU4NEU3
SCHEMBL22276979 0.85 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22276978 0.85 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22263417 0.85 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22043163 0.85 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL6018018 0.85 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22276951 0.85 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL17577712 0.85 NEU1 (1.00) NEU1NEU2NEU4NEU3

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-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2020-07-30 — — 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-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE NEU1, NEU3, NEU2 NEU1 1/4885NEU2 3/4885NEU4 4/4885

“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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