SCHEMBL6568959

SCHEMBL6568959

C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1F)C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.79
ABCC9 O60706 13/20 0.58
ABCC8 Q09428 13/20 0.58
KCNJ11 Q14654 13/20 0.58
KCNJ8 Q15842 13/20 0.58
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
PDK1 Q15118 5/20 0.52
PDK2 Q15119 5/20 0.52
PDK3 Q15120 5/20 0.52
PDK4 Q16654 5/20 0.52

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
SCHEMBL6569707 1.00 ABCB11 (0.79) ABCB11ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6568896 0.88 ABCB11 (1.00) ABCB11ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6568889 0.88 ABCB11 (1.00) ABCB11ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6568228 0.87 ABCB11 (0.81) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6568232 0.87 ABCB11 (0.81) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6569591 0.86 ABCB11 (0.59) ABCB11ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6569597 0.86 ABCB11 (0.59) ABCB11ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6569461 0.86 ABCC9 (0.65) ABCB11ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6569456 0.86 ABCC9 (0.65) ABCB11ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6356244 0.85 ABCC9 (0.70) ABCB11ABCC9ABCC8KCNJ11KCNJ8

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
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP claimed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US claimed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US claimed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP 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 ABCB11 325/4885ABCC9 635/4885ABCC8 557/4885

“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.