SCHEMBL15909862

SCHEMBL15909862

C[C@](O)(C[C@@](N)(CF)c1ccccc1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
KCNN4 O15554 5/20 0.34
NR3C2 P08235 2/20 0.34
NR3C1 P04150 2/20 0.34
HSD11B1 P28845 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL15903126 1.00 PDK1 (0.35) PDK1PDK2PDK3PDK4KCNN4
SCHEMBL17169097 0.84 PDK1 (0.36) PDK1PDK2PDK3PDK4KCNN4
SCHEMBL28879487 0.72 KCNN4 (0.44) PDK1PDK2PDK3PDK4KCNN4
SCHEMBL8716679 0.72 KCNN4 (0.44) PDK1PDK2PDK3PDK4KCNN4
SCHEMBL21677155 0.71 KCNN4 (0.39) KCNN4KCNE1KCNQ1MAPT
SCHEMBL18683297 0.71 KCNN4 (0.39) KCNN4KCNE1KCNQ1MAPT
SCHEMBL15480889 0.71 KCNN4 (0.42) KCNN4CYP2C19KCNE1KCNQ1KMT2A
SCHEMBL18623859 0.71 PDK1 (0.35) PDK1PDK2PDK3PDK4NR3C2
Tert-Butanol SCHEMBL4349692 0.70 KCNN4 (0.43) PDK1PDK2PDK3PDK4KCNN4
SCHEMBL15142455 0.70 KCNN4 (0.35) KCNN4KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS WOLTERING THOMAS (US) 2015-12-31 US disclosed
US-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS WOLTERING THOMAS (US) 2015-12-31 US disclosed
WO-2014114532-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-31 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-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS BACE1, BACE2, PSEN1 PDK1 2291/4885PDK2 2243/4885PDK3 2552/4885

“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.