SCHEMBL12346554

SCHEMBL12346554

Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc4c(c3)OCCO4)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.80
MAPT P10636 2/20 0.80
TP53 P04637 1/20 0.80
PKM P14618 7/20 0.73
LMNA P02545 4/20 0.73
ALDH1A1 P00352 4/20 0.73
TSHR P16473 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
KDM4E B2RXH2 1/20 0.71
GAA P10253 1/20 0.71
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
HTT P42858 1/20 0.58
CYP2C19 P33261 1/20 0.57

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
SCHEMBL12346558 0.96 SMN1; SMN2 (0.87) SMN1; SMN2MAPTTP53PKMLMNA
SCHEMBL12346545 0.89 PKM (0.73) SMN1; SMN2MAPTTP53PKMLMNA
SCHEMBL5680202 0.85 ALDH1A1 (0.71) SMN1; SMN2MAPTTP53PKMALDH1A1
SCHEMBL5676987 0.83 SMN1; SMN2 (0.66) SMN1; SMN2MAPTTP53PKMALDH1A1
SCHEMBL12346542 0.82 PKM (0.74) SMN1; SMN2MAPTTP53PKMLMNA
SCHEMBL9709591 0.79 ALDH1A1 (0.62) SMN1; SMN2MAPTTP53PKMALDH1A1
SCHEMBL5307153 0.77 SMN1; SMN2 (0.79) SMN1; SMN2MAPTTP53PKMLMNA
SCHEMBL13925192 0.76 CD4 (0.81) SMN1; SMN2TP53PKMLMNAALDH1A1
SCHEMBL13973341 0.75 SMN1; SMN2 (0.74) SMN1; SMN2MAPTTP53PKMLMNA
SCHEMBL13959171 0.74 SMN1; SMN2 (0.73) SMN1; SMN2MAPTTP53PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707230-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-9403792-B2 Methods of using pyruvate kinase activators AGIOS PHARMACEUTICALS, INC (US) 2016-08-02 US disclosed
US-20160199370-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2016-07-14 US disclosed
US-9290512-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-22 US disclosed
US-20150105395-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2015-04-16 US disclosed
US-8937067-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-01-20 US disclosed
US-8841305-B2 Activators of the human pyruvate kinase M2 receptor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-09-23 US disclosed
US-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-05-29 US disclosed
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2012-09-27 US disclosed
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US Dept. of Health and Human Services (US) 2011-08-11 US 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 (5 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-20150105395-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 SMN1; SMN2 2433/4885MAPT 4377/4885TP53 1215/4885
US-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK2, PCK2 SMN1; SMN2 2378/4885MAPT 4756/4885TP53 2774/4885
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 SMN1; SMN2 2576/4885MAPT 4577/4885TP53 1024/4885
US-20160199370-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 SMN1; SMN2 2504/4885MAPT 4373/4885TP53 1164/4885
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 SMN1; SMN2 2504/4885MAPT 4373/4885TP53 1164/4885

“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.