SCHEMBL6356247

SCHEMBL6356247

CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1F)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.70
ABCC8 Q09428 12/20 0.70
KCNJ11 Q14654 12/20 0.70
KCNJ8 Q15842 12/20 0.70
PDK1 Q15118 6/20 0.58
PDK2 Q15119 6/20 0.58
PDK3 Q15120 6/20 0.58
PDK4 Q16654 6/20 0.58
ABCB11 O95342 1/20 0.57
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 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
SCHEMBL6356244 1.00 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4609279 0.91 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6570002 0.91 PDK1 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4609272 0.91 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6569996 0.91 PDK1 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571464 0.90 PDK1 (0.59) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571462 0.90 PDK1 (0.59) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6569767 0.89 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6569764 0.89 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6569456 0.88 ABCC9 (0.65) 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 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 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.