SCHEMBL2587353

SCHEMBL2587353

COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
PKM P14618 11/20 0.73
BRD4 O60885 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.66
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL30114233 1.00 ALDH1A1 (0.77) ALDH1A1PKMBRD4L3MBTL1TP53
SCHEMBL2585274 0.85 PKM (1.00) ALDH1A1PKM
SCHEMBL2591579 0.82 PKM (1.00) ALDH1A1PKM
SCHEMBL30114544 0.82 PKM (1.00) ALDH1A1PKM
SCHEMBL2592293 0.81 PKM (1.00) ALDH1A1PKML3MBTL1ALOX15HTT
SCHEMBL2583932 0.81 PKM (0.71) ALDH1A1PKM
SCHEMBL28927624 0.80 PKM (0.73) ALDH1A1PKM
SCHEMBL2592757 0.79 PKM (1.00) ALDH1A1PKML3MBTL1ALOX15HTT
SCHEMBL12633834 0.79 PKM (0.79) ALDH1A1PKM
SCHEMBL14721735 0.77 BRD4 (0.70) ALDH1A1PKMBRD4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US claimed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US claimed
EP-2563761-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-03-06 EP claimed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO claimed
CN-115572259-A Arylsulfonamide compounds and uses thereof 四川科伦博泰生物医药股份有限公司 2023-01-06 CN disclosed
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US disclosed
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US disclosed
US-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2015-07-02 US disclosed
US-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2015-07-02 US disclosed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US disclosed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US disclosed
EP-2563761-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-03-06 EP disclosed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO disclosed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 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 (2 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-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK3 ALDH1A1 940/4885PKM 6/4885BRD4 3831/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR ALDH1A1 1009/4885PKM 6/4885BRD4 3903/4885

“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.