SCHEMBL6348397

SCHEMBL6348397

CC(=O)Nc1ccc(Sc2ccc(NC(=O)C(C)(C)OC(C)=O)c(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
PDK1 Q15118 4/20 0.38
PDK2 Q15119 4/20 0.38
PDK3 Q15120 4/20 0.38
PDK4 Q16654 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CHRNA7 P36544 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6359559 0.88 PDE7A (0.40) MAPTKMT2AMEN1PDK1PDK2
SCHEMBL27533287 0.87 RORC (0.47) MAPTALDH1A1PDK1PDK2PDK3
SCHEMBL6350356 0.82 PDK1 (0.38) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6348783 0.81 ABCB11 (0.53) PAX8MAPTKMT2AALDH1A1PDK1
SCHEMBL6348654 0.79 PDK1 (0.41) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL6348658 0.79 PDK1 (0.41) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL6568770 0.77 HTT (0.42) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL6358529 0.77 ALDH1A1 (0.48) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL6571244 0.77 PDK1 (0.41) MAPTKMT2AMEN1HTTLMNA
SCHEMBL6568763 0.77 HTT (0.42) MAPTKMT2AMEN1HTTALDH1A1

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 PAX8 3211/4885MAPT 4122/4885KMT2A 1500/4885

“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.