SCHEMBL6348164

SCHEMBL6348164

CSc1ccccc1S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 15/20 0.65
PDK2 Q15119 15/20 0.65
PDK3 Q15120 15/20 0.65
PDK4 Q16654 15/20 0.65
PTGES2 Q9H7Z7 1/20 0.62
ABCB11 O95342 1/20 0.60
ABCC9 O60706 1/20 0.57
ABCC8 Q09428 1/20 0.57
KCNJ11 Q14654 1/20 0.57
KCNJ8 Q15842 1/20 0.57
NR1H2 P55055 2/20 0.56
NR1H3 Q13133 2/20 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
SCHEMBL6348168 1.00 PDK1 (0.65) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6569655 0.90 ABCC9 (0.55) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6568191 0.90 PDK1 (0.63) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6568196 0.90 PDK1 (0.63) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6569666 0.88 ABCC9 (0.56) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6569670 0.88 ABCC9 (0.56) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6568221 0.88 PDK1 (0.69) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6570048 0.88 ABCB11 (0.64) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6570038 0.88 ABCB11 (0.64) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL4608430 0.86 PDK1 (0.69) PDK1PDK2PDK3PDK4PTGES2

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.