SCHEMBL6348457

SCHEMBL6348457

Cc1cc(Cc2ccccc2)ccc1NC(=O)C(C)(O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.65
ABCC8 Q09428 5/20 0.65
KCNJ11 Q14654 5/20 0.65
KCNJ8 Q15842 5/20 0.65
PDK1 Q15118 14/20 0.63
PDK2 Q15119 14/20 0.63
PDK3 Q15120 14/20 0.63
PDK4 Q16654 14/20 0.63
GPR174 Q9BXC1 1/20 0.49

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
SCHEMBL6567808 0.86 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL6567803 0.86 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL4609784 0.79 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5549859 0.79 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL27569056 0.78 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4610791 0.78 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4610786 0.78 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608254 0.77 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608257 0.77 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6359485 0.76 PDK1 (0.76) ABCC9ABCC8KCNJ11KCNJ8PDK1

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 ABCC9 635/4885ABCC8 557/4885KCNJ11 832/4885

“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.