SCHEMBL6358387

SCHEMBL6358387

CSc1ccc(Sc2ccc(NC(=O)C(O)(C(F)(F)F)C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
PDK1 Q15118 8/20 0.41
PDK2 Q15119 8/20 0.41
PDK3 Q15120 8/20 0.41
PDK4 Q16654 8/20 0.41
NPSR1 Q6W5P4 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL6568832 0.89 PDK1 (0.56) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6568838 0.89 PDK1 (0.56) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL27553222 0.87 KIF11 (0.47) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571301 0.84 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571138 0.80 PDK1 (0.61) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571148 0.80 PDK1 (0.61) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6568156 0.80 PDK1 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6568153 0.80 PDK1 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL3628825 0.79 MAP2K2 (0.44) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6349963 0.79 ABCC9 (0.36) 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 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
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US 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.