SCHEMBL17428262

SCHEMBL17428262

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@H](Cc2ccc(Cl)cc2)[C@H]1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
GRM2 Q14416 1/20 0.34
HSD11B1 P28845 1/20 0.34
HCRTR2 O43614 1/20 0.34
SCN9A Q15858 2/20 0.33
SCN8A Q9UQD0 1/20 0.33
LIPE Q05469 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL17428263 0.93 ABHD6 (0.37) GAASCN9AL3MBTL1
SCHEMBL17428266 0.92 GAA (0.35) GAAGRM2SCN9A
SCHEMBL17428274 0.85 NAAA (0.38)
SCHEMBL17428273 0.85 GAA (0.37) GAAL3MBTL1NFKB1NFKB2RELA
SCHEMBL17428043 0.83 KMT2A (0.41) GAAL3MBTL1
SCHEMBL17428247 0.83 KMT2A (0.41) GAAL3MBTL1
SCHEMBL17428275 0.82 GAA (0.36) GAASCN9A
SCHEMBL17428264 0.82 KMT2A (0.37) GAAL3MBTL1
SCHEMBL17428271 0.82 KMT2A (0.38) GAASCN9AL3MBTL1
SCHEMBL17245245 0.82 KMT2A (0.39) SCN9AL3MBTL1

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 GAA 1303/4885GRM2 452/4885HSD11B1 539/4885

“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.