SCHEMBL14933698

SCHEMBL14933698

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NEU1 Q99519 19/20 1.00
▸ NEU4 Q8WWR8 1/20 1.00
▸ NEU3 Q9UQ49 5/20 0.87
▸ NEU2 Q9Y3R4 6/20 0.80

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
SCHEMBL22276971 1.00 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL21164774 1.00 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL22111464 0.94 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL14933696 0.94 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL21164641 0.94 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL22276941 0.94 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL22276944 0.93 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL22276946 0.92 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL22276989 0.90 NEU1 (1.00) NEU1NEU4NEU3NEU2
SCHEMBL22111467 0.89 NEU1 (1.00) NEU1NEU4NEU3NEU2

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-20150064282-A1 USE OF NEU1 SIALIDASE INHIBITORS IN THE TREATMENT OF CANCER SZEWCZUK, MYRON R. (CA) 2015-03-05 — — US disclosed
WO-2013063679-A9 USE OF NEU1 SIALIDASE INHIBITORS IN THE TREATMENT OF CANCER JOSEFOWITZ PAUL ZACHARY (GB) 2013-07-11 — — WO disclosed
WO-2013063679-A1 USE OF NEUL SIALIDASE INHIBITORS IN THE TREATMENT OF CANCER JOSEFOWITZ PAUL ZACHARY (GB) 2013-05-10 — — WO 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 NEU1 1/4885NEU4 4/4885NEU3 3/4885

“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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