SCHEMBL2582634

SCHEMBL2582634

Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(Cl)(Cl)C(=O)N3)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKLR P30613 2/20 1.00
PKM P14618 13/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2585585 0.75 PKM (1.00) PKLRPKMALDH1A1LMNAGAA
SCHEMBL1711251 0.74 PKM (1.00) PKLRPKMALDH1A1LMNA
SCHEMBL7571503 0.73 PKM (0.67) PKLRPKMALDH1A1LMNATP53
SCHEMBL2586950 0.72 PKM (1.00) PKLRPKMALDH1A1LMNAMAPT
SCHEMBL30532923 0.72 PKM (0.71) PKLRPKMALDH1A1LMNATP53
SCHEMBL30555219 0.72 PKLR (0.55) PKLRALDH1A1TP53GAAMAPT
SCHEMBL6954051 0.72 PKLR (0.55) PKLRALDH1A1TP53GAAMAPT
SCHEMBL14403177 0.72 PKM (0.71) PKLRPKMALDH1A1LMNATP53
SCHEMBL2593770 0.71 KMT2A (0.75) PKMALDH1A1TP53GAAMAPT
SCHEMBL6943633 0.71 ALDH1A1 (0.58) PKLRPKMALDH1A1LMNATP53

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 11 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
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 PKLR 4/4885PKM 6/4885ALDH1A1 940/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR PKLR 3/4885PKM 6/4885ALDH1A1 1009/4885

“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.