SCHEMBL2594417

SCHEMBL2594417

Cc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.69
ALDH1A1 P00352 1/20 0.57
PKLR P30613 2/20 0.57
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 6/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL10075476 0.90 PKM (0.56) PKMALDH1A1PKLRTP53MAPT
SCHEMBL10075620 0.86 PKM (0.60) PKMALDH1A1MAPTMEN1KMT2A
SCHEMBL10075477 0.86 SMN1; SMN2 (0.62) PKMALDH1A1GAAMEN1KMT2A
SCHEMBL10075480 0.86 MAPT (0.59) PKMALDH1A1GAAMAPTMEN1
SCHEMBL15818506 0.86 PKM (0.58) PKMALDH1A1TP53MAPTMEN1
SCHEMBL10076055 0.85 PKM (0.50) PKMTP53MAPTPOLB
SCHEMBL10075472 0.85 ALDH1A1 (0.57) PKMALDH1A1TP53MAPTMEN1
SCHEMBL10075478 0.83 MAPT (0.64) PKMALDH1A1GAAMAPTMEN1
SCHEMBL10075475 0.83 MAPT (0.53) PKMALDH1A1TP53MAPTMEN1
SCHEMBL10075619 0.82 MAPT (0.62) PKMALDH1A1TP53MAPTPOLB

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 16 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
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 6/4885ALDH1A1 940/4885PKLR 4/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR PKM 6/4885ALDH1A1 1009/4885PKLR 3/4885

“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.