SCHEMBL4607828

SCHEMBL4607828

CC(O)(C(=O)Nc1ccc(I)cc1Cl)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 20/20 0.74
PDK2 Q15119 20/20 0.74
PDK3 Q15120 20/20 0.74
PDK4 Q16654 20/20 0.74

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
SCHEMBL4606443 1.00 PDK1 (0.74) PDK1PDK2PDK3PDK4
SCHEMBL7803510 0.96 PDK1 (0.69) PDK1PDK2PDK3PDK4
SCHEMBL5737078 0.87 PTGES2 (0.70) PDK1PDK2PDK3PDK4
SCHEMBL6347728 0.85 PDK1 (0.57) PDK1PDK2PDK3PDK4
SCHEMBL6348275 0.85 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL6571075 0.84 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL6571081 0.84 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL6348339 0.84 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL6348342 0.84 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL9384576 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB PDK1 2/4885PDK2 8/4885PDK3 7/4885

“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.