SCHEMBL6328640

SCHEMBL6328640

CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)OC(c2ccccc2)c2ccccc2)=C[C@@H]1N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 5/20 0.43
NEU3 Q9UQ49 5/20 0.43
NEU4 Q8WWR8 3/20 0.43
NEU1 Q99519 3/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL7829019 1.00 NEU2 (0.43) NEU2NEU3NEU4NEU1LMNA
SCHEMBL7829023 1.00 NEU2 (0.43) NEU2NEU3NEU4NEU1LMNA
SCHEMBL7827367 0.91 NEU2 (0.48) NEU2NEU3NEU4NEU1LMNA
SCHEMBL7827370 0.91 NEU2 (0.48) NEU2NEU3NEU4NEU1LMNA
SCHEMBL14526696 0.90 NEU2 (0.35) NEU2NEU3NEU4NEU1LMNA
SCHEMBL23366169 0.89 NEU2 (0.46) NEU2NEU3NEU4NEU1LMNA
SCHEMBL3677345 0.89 NEU2 (0.55) NEU2NEU3NEU4NEU1LMNA
SCHEMBL3677348 0.89 NEU2 (0.55) NEU2NEU3NEU4NEU1LMNA
SCHEMBL126534 0.89 NEU2 (0.55) NEU2NEU3NEU4NEU1LMNA
SCHEMBL7828982 0.86 MAPT (0.30)

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-20050054718-A1 Dimeric compounds and their use as anti-viral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2005-03-10 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-20050054718-A1 Dimeric compounds and their use as anti-viral agents EIF2AK2, IRF3, SARS1 NEU2 566/4885NEU3 913/4885NEU4 1084/4885

“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.