SCHEMBL2593652

SCHEMBL2593652

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
PKM P14618 9/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 2/20 0.55
GFER P55789 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL16409837 0.82 HDAC3 (0.64) LMNACYP3A4CYP2C9HTTSMN1; SMN2
SCHEMBL4896390 0.80 PKM (0.57) LMNAPKMCYP3A4CYP2C9HTT
SCHEMBL15711215 0.80 CA12 (0.53) LMNAPKMHTTSMN1; SMN2ALDH1A1
SCHEMBL10154007 0.79 PKM (0.67) PKMALDH1A1L3MBTL1
SCHEMBL22735897 0.77 LMNA (0.62) LMNACYP3A4CYP2C9HTTALDH1A1
SCHEMBL22735649 0.77 LMNA (0.64) LMNACYP3A4CYP2C9HTTSMN1; SMN2
SCHEMBL2593253 0.77 PKM (0.60) LMNAPKMCYP3A4SMN1; SMN2
SCHEMBL2206236 0.75 CA12 (0.53) LMNAPKMCYP3A4CYP2C9HTT
SCHEMBL4712443 0.74 PKM (0.57) PKMHTTALDH1A1L3MBTL1
SCHEMBL14089190 0.74 PKM (0.60) PKMCYP3A4ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369742-A1 METHODS OF TREATING THROMBOSIS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2021-12-02 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-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 LMNA 500/4885PKM 6/4885CYP3A4 2492/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR LMNA 462/4885PKM 6/4885CYP3A4 2409/4885

“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.