SCHEMBL17428279

SCHEMBL17428279

CCC[C@H]1COC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL17428265 0.89 KMT2A (0.40) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17428281 0.88 KDM1A (0.41) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17245236 0.88 KMT2A (0.40) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17428251 0.86 KDM1A (0.47) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17428248 0.79 NAAA (0.40)
SCHEMBL17428043 0.78 KMT2A (0.41) GAAKMT2AL3MBTL1
SCHEMBL17428267 0.78 GAA (0.41) GAAKMT2ACTSDBACE1
SCHEMBL15370873 0.78 KMT2A (0.41) GAAKMT2AL3MBTL1
SCHEMBL17428247 0.78 KMT2A (0.41) GAAKMT2AL3MBTL1
SCHEMBL17245237 0.78 KMT2A (0.44) KDM1AMAOBKMT2AL3MBTL1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
WO-2016007529-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 (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-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 GAA 1303/4885KDM1A 1840/4885MAOB 2013/4885

“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.