SCHEMBL4207944

SCHEMBL4207944

CCC[C@H](C(=O)OC(C)(C)C)[C@](N)(O)C(=O)NC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD11B1 P28845 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CTSK P43235 3/20 0.32
SMYD3 Q9H7B4 2/20 0.32
METAP1 P53582 1/20 0.31
MME P08473 1/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL5154944 0.76 CTSK (0.35) HDAC1GAACA1CA2CTSK
SCHEMBL14748198 0.70 CA1 (0.38) HDAC1GAACA1CA2CTSK
SCHEMBL13575237 0.70 CA1 (0.38) HDAC1GAACA1CA2CTSK
SCHEMBL16871163 0.68 HDAC4 (0.41) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL31150301 0.68 GAA (0.40) EPHX1PDK1PDK2PDK3PDK4
SCHEMBL6117658 0.68 AAK1 (0.36) HDAC1GAACA1CA2CTSK
SCHEMBL19176293 0.68 CTSK (0.36) HDAC1GAACA1CA2CTSK
SCHEMBL12326431 0.68 CTSK (0.36) HDAC1GAACA1CA2CTSK
SCHEMBL16867321 0.68 METAP1 (0.36) EPHX1PDK1PDK2PDK3PDK4
SCHEMBL16867320 0.67 METAP1 (0.35) PDK1PDK2PDK3PDK4PKM

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-8183413-B2 Process for production of β-amino-α-hydroxy carboxamide derivative KANEKA CORPORATION (JP) 2012-05-22 US disclosed
US-20090312577-A1 Process for Production of Beta-Amino-Alpha-Hydroxy Carbonxamide Derivative KANEKA CORPORATION (JP) 2009-12-17 US disclosed
EP-1988073-A1 PROCESS FOR PRODUCTION OF BETA-AMINO-ALPHA-HYDROXY ACID AMIDE DERIVATIVE Kaneka Corporation (JP) 2008-11-05 EP 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-20090312577-A1 Process for Production of Beta-Amino-Alpha-Hydroxy Carbonxamide Derivative PTMA, ATIC, HCAR2 EPHX1 2360/4885HDAC4 1731/4885HDAC1 1980/4885

“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.