SCHEMBL17428263

SCHEMBL17428263

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@H](Cc2ccccc2)[C@H]1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 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
SCHEMBL17428262 0.93 GAA (0.35) L3MBTL1GAASCN9A
SCHEMBL17428266 0.93 GAA (0.35) GAASCN9A
SCHEMBL17428274 0.92 NAAA (0.38)
SCHEMBL17428247 0.91 KMT2A (0.41) KMT2AL3MBTL1GAA
SCHEMBL17428043 0.91 KMT2A (0.41) KMT2AL3MBTL1GAA
SCHEMBL17428264 0.90 KMT2A (0.37) KMT2AL3MBTL1GAA
SCHEMBL17428271 0.90 KMT2A (0.38) KMT2AL3MBTL1GAASCN9A
SCHEMBL17245245 0.89 KMT2A (0.39) ABHD6DAGLAKMT2AL3MBTL1KCNH2
SCHEMBL17428053 0.86 KMT2A (0.40) KMT2AL3MBTL1GAA
SCHEMBL17428054 0.84 KMT2A (0.38) KMT2AL3MBTL1GAA

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 5 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
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 ABHD6 1635/4885DAGLA 2382/4885KMT2A 3234/4885

“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.