SCHEMBL2581073

SCHEMBL2581073

CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 1.00
TDP1 Q9NUW8 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
TRIM24 O15164 9/20 0.69
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
PKLR P30613 1/20 0.67
USP2 O75604 1/20 0.66
LMNA P02545 1/20 0.66
GAA P10253 1/20 0.66
TSHR P16473 1/20 0.66
HTT P42858 1/20 0.66
KDM1A O60341 1/20 0.64

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
SCHEMBL14756785 0.85 TRIM24 (0.83) PKMSMN1; SMN2TRIM24USP2LMNA
SCHEMBL10153789 0.80 MEN1 (0.68) PKMSMN1; SMN2TRIM24MEN1KMT2A
SCHEMBL31591374 0.80 MEN1 (0.68) PKMSMN1; SMN2TRIM24MEN1KMT2A
SCHEMBL12175798 0.80 PKLR (1.00) PKMTDP1SMN1; SMN2MEN1KMT2A
SCHEMBL7662396 0.80 PKM (0.66) PKMSMN1; SMN2TRIM24MEN1KMT2A
SCHEMBL31681375 0.79 TRIM24 (0.70) PKMSMN1; SMN2TRIM24MEN1KMT2A
SCHEMBL8240031 0.79 HDAC3 (0.85) PKMTRIM24LMNA
SCHEMBL4808175 0.79 NOTUM (0.67) PKMSMN1; SMN2TRIM24MEN1KMT2A
SCHEMBL14590668 0.78 TRIM24 (0.65) PKMSMN1; SMN2TRIM24
SCHEMBL16502946 0.78 PKM (0.64) PKMSMN1; SMN2TRIM24MEN1KMT2A

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 15 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
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-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-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
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

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 PKM 6/4885TDP1 1657/4885SMN1; SMN2 1777/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR PKM 6/4885TDP1 1643/4885SMN1; SMN2 1629/4885

“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.