SCHEMBL2435301

SCHEMBL2435301

C[C@H]1C[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)C(=O)N2c2cccc(F)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
PKM P14618 1/20 0.34
RORC P51449 5/20 0.34
HCRTR2 O43614 1/20 0.34
BACE1 P56817 2/20 0.33
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
HTR2C P28335 1/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL2430707 0.86 PDK1 (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL12293420 0.84 PDK1 (0.39) PDK1PDK2PDK3PDK4PKM
SCHEMBL2434478 0.80 PDK1 (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL2438315 0.77 BACE1 (0.42) PDK1PDK2PDK3PDK4PKM
SCHEMBL12328091 0.77 MAPK1 (0.35) BACE1
SCHEMBL2437418 0.76 BACE1 (0.43) PDK1PDK2PDK3PDK4PKM
SCHEMBL14315421 0.75 PDK1 (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL2433096 0.75 BACE1 (0.42) PDK1PDK2PDK3PDK4PKM
SCHEMBL2435120 0.75 PDK1 (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL2435303 0.75 BACE1 (0.36) PKMRORCBACE1SIGMAR1

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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B PDK1 3030/4885PDK2 3827/4885PDK3 3723/4885

“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.