SCHEMBL6348449

SCHEMBL6348449

CSc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 18/20 0.70
PDK2 Q15119 18/20 0.70
PDK3 Q15120 18/20 0.70
PDK4 Q16654 18/20 0.70
ABCB11 O95342 1/20 0.69
PTGES2 Q9H7Z7 1/20 0.57

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
SCHEMBL6348452 1.00 PDK1 (0.70) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6569879 0.90 PDK1 (0.65) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6569875 0.90 PDK1 (0.65) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6568221 0.89 PDK1 (0.69) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571028 0.88 ABCB11 (0.68) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571022 0.88 ABCB11 (0.68) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6568786 0.88 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL27533429 0.88 ABCC9 (0.56) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL27533431 0.88 ABCC9 (0.56) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL4609853 0.87 PDK1 (0.74) PDK1PDK2PDK3PDK4ABCB11

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
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN 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.