SCHEMBL6357501

SCHEMBL6357501

Cc1cccc(C)c1NC(=O)C(C)(O)C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 19/20 0.80
PDK2 Q15119 19/20 0.80
PDK3 Q15120 19/20 0.80
PDK4 Q16654 19/20 0.80
ABCC9 O60706 3/20 0.55
ABCC8 Q09428 3/20 0.55
KCNJ11 Q14654 3/20 0.55
KCNJ8 Q15842 3/20 0.55
ABCB11 O95342 1/20 0.51

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
SCHEMBL6356221 0.82 PDK1 (0.77) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL28277440 0.82 PDK1 (0.55) PDK1PDK2PDK3PDK4
SCHEMBL25095439 0.82 PDK1 (0.55) PDK1PDK2PDK3PDK4
SCHEMBL5710224 0.80 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL5710226 0.80 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL27574618 0.80 PDK1 (0.73) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL901118 0.80 L3MBTL1 (0.54) PDK1PDK2PDK3PDK4
SCHEMBL4609103 0.79 ABCC9 (0.73) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL18485510 0.78 PDK1 (0.51) PDK1PDK2PDK3PDK4
SCHEMBL11437102 0.77 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 4 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

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.