SCHEMBL6350417

SCHEMBL6350417

COc1ccccc1NC(=O)C(C)(O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 16/20 1.00
PDK2 Q15119 16/20 1.00
PDK3 Q15120 16/20 1.00
PDK4 Q16654 16/20 1.00
ABCC9 O60706 2/20 0.67
ABCC8 Q09428 2/20 0.67
KCNJ11 Q14654 2/20 0.67
KCNJ8 Q15842 2/20 0.67
GLA P06280 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL6348512 0.84 PDK1 (0.72) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL2226280 0.84 PDK1 (0.72) PDK1PDK2PDK3PDK4GLA
SCHEMBL1030263 0.84 LMNA (0.74) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL6569428 0.81 TSHR (0.71) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL4607928 0.81 ABCC9 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5710339 0.80 PDK1 (0.65) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5710329 0.80 PDK1 (0.65) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6569716 0.80 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6569709 0.80 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6351244 0.80 PDK1 (0.71) PDK1PDK2PDK3PDK4ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 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.