SCHEMBL3333499

SCHEMBL3333499

CC(C)(C)N(C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(Br)cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
PPARG P37231 6/20 0.36
EPHX2 P34913 6/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK10 P53779 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PPARA Q07869 1/20 0.34
ANO1 Q5XXA6 1/20 0.34

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
SCHEMBL3333495 1.00 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL3331914 0.86 MME (0.42) HDAC3HDAC1HDAC6MEN1KMT2A
SCHEMBL3329760 0.83 NTRK1 (0.37) HDAC6AKT1MEN1CYP1A2CYP2D6
SCHEMBL3329764 0.83 NTRK1 (0.37) HDAC6AKT1MEN1CYP1A2CYP2D6
SCHEMBL1530020 0.81 AKT1 (0.40) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL1530022 0.81 AKT1 (0.40) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL1529843 0.80 EPHX2 (0.38) HDAC6AKT1AKT2AKT3PPARG
SCHEMBL1529841 0.80 EPHX2 (0.38) HDAC6AKT1AKT2AKT3PPARG
SCHEMBL13300019 0.79 SCN9A (0.42) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL1529426 0.79 AKT1 (0.46) AKT1AKT2AKT3PPARGEPHX2

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-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 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-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 HDAC3 859/4885HDAC1 433/4885HDAC2 628/4885

“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.