SCHEMBL19628405

SCHEMBL19628405

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CTSD P07339 2/20 0.36
BACE1 P56817 1/20 0.32
NFKB1 P19838 4/20 0.32
NFKB2 Q00653 4/20 0.32
RELA Q04206 4/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CTSC P53634 1/20 0.32
CTSF Q9UBX1 1/20 0.32
BTK Q06187 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL17898912 0.93 GAA (0.40) GAACTSDBACE1NFKB1NFKB2
SCHEMBL19091112 0.92 GAA (0.42) GAACTSDBACE1NFKB1NFKB2
SCHEMBL17898714 0.86 KDM1A (0.36) GAACTSDCTSLCTSSCTSK
SCHEMBL19628411 0.85 GAA (0.41) GAACTSDNFKB1NFKB2RELA
SCHEMBL19633453 0.85 GAA (0.41) GAACTSDBACE1
SCHEMBL19628423 0.84 GAA (0.43) GAACTSDBACE1NFKB1NFKB2
SCHEMBL17898712 0.84 KDM1A (0.36) GAACTSDCTSLCTSSCTSK
SCHEMBL17426991 0.82 GAA (0.43) GAACTSDBACE1NFKB1NFKB2
SCHEMBL19628406 0.82 GAA (0.39) GAACTSDBACE1
SCHEMBL19628370 0.82 KLK5 (0.43) GAA

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 1352/4885BACE1 2196/4885

“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.