SCHEMBL17428258

SCHEMBL17428258

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@H](CC2CCCC2)[C@H]1CC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NAAA Q02083 2/20 0.39
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
BTK Q06187 1/20 0.34
CTSD P07339 1/20 0.33
EPHX1 P07099 1/20 0.33
REN P00797 3/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL17428250 0.99 GAA (0.42) GAANAAANFKB1NFKB2RELA
SCHEMBL17428270 0.84 KMT2A (0.41) GAANAAAKMT2AL3MBTL1
SCHEMBL17428280 0.82 GAA (0.37) GAAKMT2AL3MBTL1
SCHEMBL17898651 0.81 NAAA (0.40) GAANAAANFKB1NFKB2RELA
SCHEMBL17428281 0.79 KDM1A (0.41) GAAKMT2AL3MBTL1
SCHEMBL17428283 0.79 GAA (0.47) GAANAAANFKB1NFKB2RELA
SCHEMBL17898650 0.79 NAAA (0.39) GAANAAANFKB1NFKB2RELA
SCHEMBL15366902 0.76 GAA (0.42) GAANFKB1NFKB2RELABTK
SCHEMBL19089218 0.76 GAA (0.46) GAANAAANFKB1NFKB2RELA
SCHEMBL17898717 0.76 NAAA (0.39) GAANAAANFKB1NFKB2RELA

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 1303/4885NAAA 2646/4885NFKB1 4561/4885

“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.