SCHEMBL6350100

SCHEMBL6350100

CC(O)(C(=O)Nc1ccccc1F)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 15/20 1.00
PDK2 Q15119 15/20 1.00
PDK3 Q15120 15/20 1.00
PDK4 Q16654 15/20 1.00
ABCC9 O60706 3/20 0.64
ABCC8 Q09428 3/20 0.64
KCNJ11 Q14654 3/20 0.64
KCNJ8 Q15842 3/20 0.64
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX12 P18054 1/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL6351755 0.83 PDK1 (0.71) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5737269 0.83 PDK1 (0.68) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7089699 0.82 RAB9A (0.71) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL5735974 0.82 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL6349972 0.82 PDK1 (0.69) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6348877 0.82 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL6347970 0.82 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL18458382 0.81 PDK1 (0.68) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL6358595 0.81 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL1576313 0.80 PDK1 (0.67) PDK1PDK2PDK3PDK4RAB9A

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 7 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
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
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.