SCHEMBL17428283

SCHEMBL17428283

CC1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@@H]2CCCC[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
BTK Q06187 1/20 0.37
F2R P25116 1/20 0.36
NAAA Q02083 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CTSD P07339 2/20 0.35
EPHX1 P07099 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL17428278 0.80 GAA (0.39) GAACHRM2CHRM1BTKF2R
SCHEMBL15373763 0.80 GAA (0.50) GAABTKNAAANFKB1NFKB2
SCHEMBL17428258 0.79 GAA (0.43) GAABTKNAAANFKB1NFKB2
SCHEMBL19091547 0.79 GAA (0.47) GAABTKNFKB1NFKB2RELA
SCHEMBL19091088 0.79 GAA (0.49) GAABTKNAAANFKB1NFKB2
SCHEMBL17428250 0.78 GAA (0.42) GAABTKNAAANFKB1NFKB2
SCHEMBL17428260 0.78 KMT2A (0.43) GAANAAABACE1
SCHEMBL19091104 0.78 GAA (0.44) GAABTKNAAANFKB1NFKB2
SCHEMBL19089217 0.77 GAA (0.50) GAABTKNFKB1NFKB2RELA
SCHEMBL19099471 0.77 GAA (0.44) GAACHRM2CHRM1BTKNAAA

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 1303/4885CHRM2 2996/4885CHRM1 3603/4885

“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.