SCHEMBL17427147

SCHEMBL17427147

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CTSD P07339 2/20 0.40
BACE1 P56817 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL19084159 0.87 NAAA (0.41) GAACTSDNAAA
SCHEMBL17426991 0.86 GAA (0.43) GAACTSDBACE1NAAA
SCHEMBL19633453 0.85 GAA (0.41) GAACTSDBACE1
SCHEMBL19089218 0.84 GAA (0.46) GAACTSDBACE1NAAA
SCHEMBL19628388 0.82 GAA (0.49) GAACTSDNAAA
SCHEMBL17427170 0.81 GAA (0.37) GAACTSDNAAA
SCHEMBL17426989 0.81 KMT2A (0.44) GAANAAA
SCHEMBL19091499 0.81 GAA (0.41) GAACTSDBACE1NAAA
SCHEMBL17898647 0.80 GAA (0.47) GAACTSDNAAA
SCHEMBL17426932 0.80 GAA (0.36) GAACTSDNAAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
WO-2016007531-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-01-14 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 (2 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-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 GAA 1303/4885CTSD 1352/4885BACE1 2196/4885
US-20160007602-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.