SCHEMBL19628378

SCHEMBL19628378

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCO[C@H](Cc2ccc(F)cc2)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL19633415 0.88 SCN9A (0.33) SCN9AGAA
SCHEMBL17427149 0.87 SCN9A (0.34) SCN9AGAACTSSCTSK
SCHEMBL19628379 0.87 RORC (0.33) SCN9AGAA
SCHEMBL17760968 0.86 CACNA1G (0.34)
SCHEMBL19628394 0.85 SCN9A (0.37) SCN9ATP53
SCHEMBL19614773 0.85 SCN9A (0.35) SCN9ACTSSCTSK
SCHEMBL19628400 0.85 SCN9A (0.35) SCN9AGAACTSSCTSK
SCHEMBL19614775 0.85 SCN9A (0.35) SCN9ACTSSCTSK
SCHEMBL19628390 0.85 SCN9A (0.32) SCN9AGAA
SCHEMBL19628389 0.85 SCN9A (0.32) SCN9A

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 SCN9A 1848/4885GAA 1303/4885TP53 4452/4885

“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.