SCHEMBL16548128

SCHEMBL16548128

CC(C)C(=O)NC[C@H](O)[C@H](O)C1OC(C(=O)O)=CC(O)[C@H]1N

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NEU3 Q9UQ49 7/20 0.71
▸ NEU1 Q99519 19/20 0.57
▸ NEU4 Q8WWR8 2/20 0.57
▸ NEU2 Q9Y3R4 2/20 0.52

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
SCHEMBL16548126 0.90 NEU3 (0.59) NEU3NEU1NEU4NEU2
SCHEMBL16548129 0.89 NEU1 (0.57) NEU3NEU1NEU4NEU2
SCHEMBL16548135 0.88 NEU1 (0.73) NEU3NEU1NEU4NEU2
SCHEMBL16544472 0.87 NEU3 (0.72) NEU3NEU1NEU4NEU2
SCHEMBL26354938 0.87 NEU3 (0.72) NEU3NEU1NEU4NEU2
SCHEMBL16548231 0.85 NEU1 (0.56) NEU3NEU1NEU4NEU2
SCHEMBL14933700 0.83 NEU3 (1.00) NEU3NEU1NEU4NEU2
SCHEMBL22276975 0.83 NEU3 (1.00) NEU3NEU1NEU4NEU2
SCHEMBL21164804 0.83 NEU3 (1.00) NEU3NEU1NEU4NEU2
SCHEMBL22111639 0.80 NEU2 (0.63) NEU3NEU1NEU4NEU2

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-20150064282-A1 USE OF NEU1 SIALIDASE INHIBITORS IN THE TREATMENT OF CANCER SZEWCZUK, MYRON R. (CA) 2015-03-05 — — 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 (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-20150064282-A1 USE OF NEU1 SIALIDASE INHIBITORS IN THE TREATMENT OF CANCER NEU1, NEU2, NEU3 NEU3 3/4885NEU1 1/4885NEU4 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.

Send feedback