SCHEMBL19633453

SCHEMBL19633453

CCCCO[C@@H]1COCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CTSD P07339 2/20 0.39
BACE1 P56817 1/20 0.35

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
SCHEMBL19091499 0.92 GAA (0.41) GAACTSDBACE1
SCHEMBL19628406 0.89 GAA (0.39) GAACTSDBACE1
SCHEMBL17898649 0.87 GAA (0.39) GAACTSDBACE1
SCHEMBL19091107 0.86 GAA (0.43) GAACTSDBACE1
SCHEMBL19628405 0.85 GAA (0.42) GAACTSDBACE1
SCHEMBL17427147 0.85 GAA (0.44) GAACTSDBACE1
SCHEMBL19628411 0.84 GAA (0.41) GAACTSD
SCHEMBL15373771 0.84 GAA (0.41) GAACTSDBACE1
SCHEMBL17898906 0.84 CTSD (0.37) GAACTSDBACE1
SCHEMBL17898905 0.82 CTSD (0.39) GAACTSDBACE1

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-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 GAA 1303/4885CTSD 1352/4885BACE1 2196/4885

“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.