SCHEMBL19628422

SCHEMBL19628422

CC[C@H]1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]1OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
CTSD P07339 1/20 0.32
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL19628393 0.87 KMT2A (0.36) NAAA
SCHEMBL19628410 0.86 GAA (0.35) GAACTSDNFKB1NFKB2RELA
SCHEMBL19628409 0.86 GAA (0.35) GAA
SCHEMBL19628403 0.86 GAA (0.35) GAACTSD
SCHEMBL19628400 0.85 SCN9A (0.35) GAA
SCHEMBL16605410 0.83 GAA (0.36) GAACTSDNAAA
SCHEMBL17898912 0.83 GAA (0.40) GAACTSDNFKB1NFKB2RELA
SCHEMBL19628420 0.83 GAA (0.40) GAANFKB1NFKB2RELANAAA
SCHEMBL17898809 0.81 GAA (0.39) GAACTSD
SCHEMBL19628408 0.81 KDM1A (0.36) GAANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US disclosed
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 GAA 1303/4885CTSD 1352/4885NFKB1 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.