SCHEMBL6357604

SCHEMBL6357604

CC(O)C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
SLC16A1 P53985 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CA9 Q16790 1/20 0.47
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
BCL2L1 Q07817 1/20 0.45
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL6568147 0.91 LMNA (0.56) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6568216 0.90 LMNA (0.50) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6351493 0.88 CA1 (0.50) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6351497 0.88 CA1 (0.50) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6568866 0.86 SLC16A1 (0.50) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6571101 0.80 PDK1 (0.56) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6351340 0.80 POLB (0.42) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6351344 0.80 POLB (0.42) LMNAPOLBCA1CA2SLC16A1
SCHEMBL6570069 0.79 PDK1 (0.60) LMNAPOLBSLC16A1PDK1PDK2
SCHEMBL4609323 0.77 PDK1 (0.55) LMNAPOLBPDK1PDK2PDK3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101417964-A Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2009-04-29 CN disclosed
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
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN 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 LMNA 1594/4885POLB 903/4885CA1 623/4885

“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.