SCHEMBL29842099

SCHEMBL29842099

CC(=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 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NEU2 Q9Y3R4 5/20 0.49
▸ NEU3 Q9UQ49 4/20 0.49
▸ NEU4 Q8WWR8 3/20 0.49
▸ NEU1 Q99519 1/20 0.49
▸ LMNA P02545 1/20 0.42
▸ SELL P14151 1/20 0.41
▸ NANP Q8TBE9 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL24418448 1.00 NEU2 (0.49) NEU2NEU3NEU4NEU1LMNA
SCHEMBL17297667 1.00 NEU2 (0.49) NEU2NEU3NEU4NEU1LMNA
SCHEMBL14725954 0.90 NANP (0.41) NEU2NEU3NEU4NEU1SELL
SCHEMBL12702851 0.88 SELL (0.45) NEU2NEU3NEU4NEU1LMNA
SCHEMBL12661467 0.88 SELL (0.45) NEU2NEU3NEU4NEU1LMNA
SCHEMBL12855840 0.88 SELL (0.45) NEU2NEU3NEU4NEU1LMNA
SCHEMBL13863046 0.88 SELL (0.45) NEU2NEU3NEU4NEU1LMNA
SCHEMBL24630056 0.87 NEU1 (0.40) NEU2NEU3NEU4NEU1L3MBTL1
SCHEMBL19087135 0.87 NEU2 (0.42) NEU2NEU3NEU4NEU1SELL
SCHEMBL149190 0.86 NEU2 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220280472-A1 TREATMENT OF PULMONARY FIBROSIS USING INHIBITORS OF NEU1 SIALIDASE THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-09-08 — — 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-20220280472-A1 TREATMENT OF PULMONARY FIBROSIS USING INHIBITORS OF NEU1 SIALIDASE NEU1, NEU2, NEU4 NEU2 2/4885NEU3 4/4885NEU4 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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