SCHEMBL21032274

SCHEMBL21032274

CCCOC(=O)[C@@](C)(O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES1 P23141 1/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
HIF1A Q16665 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
SCHEMBL28113274 0.83 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8516579 0.83 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8516578 0.83 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL19472472 0.81 HCAR2 (0.36) PDK2HCAR2ALDH1A1LMNACES2
SCHEMBL361957 0.81 PDK1 (0.44) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4672249 0.80 HCAR2 (0.39) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL19105203 0.80 HCAR2 (0.39) HCAR2ALDH1A1LMNACES2ESR1
SCHEMBL2607867 0.80 HCAR2 (0.39) HCAR2ALDH1A1LMNACES2ESR1
SCHEMBL2691400 0.78 HCAR2 (0.38) PDK2HCAR2ALDH1A1LMNACES2
SCHEMBL29197988 0.78 HCAR2 (0.38) PDK2HCAR2ALDH1A1LMNACES2

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-10399995-B2 1,4-Oxazines useful as selective BACE1 inhibitors ELI LILLY AND COMPANY (US) 2019-09-03 US disclosed
US-20190161502-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS LILLY CO ELI (US) 2019-05-30 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 (2 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-10399995-B2 1,4-Oxazines useful as selective BACE1 inhibitors BACE1, BACE2, PSEN1 PDK1 3189/4885PDK2 3214/4885PDK3 3056/4885
US-20190161502-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS BACE1, BACE2, PSEN1 PDK1 3189/4885PDK2 3214/4885PDK3 3056/4885

“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.