SCHEMBL1711139

SCHEMBL1711139

Cc1ccc(-c2ccccc2S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 16/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
LMNA P02545 3/20 0.67
TSHR P16473 2/20 0.67
ALDH1A1 P00352 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
PKLR P30613 8/20 0.65
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 3/20 0.59
USP2 O75604 2/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CREBBP Q92793 1/20 0.58
GAA P10253 1/20 0.57
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL1711136 0.85 PKM (0.70) PKMMEN1KMT2ALMNATSHR
SCHEMBL1710921 0.83 PKM (0.73) PKMMEN1KMT2ALMNATSHR
SCHEMBL19873613 0.79 PKM (0.70) PKMMEN1KMT2ALMNATSHR
SCHEMBL1722758 0.79 PKM (1.00) PKMMEN1KMT2ALMNATSHR
SCHEMBL1722816 0.79 PKM (1.00) PKMLMNAPKLRNPC1RAB9A
SCHEMBL1725568 0.78 PKM (1.00) PKMMEN1KMT2ALMNATSHR
SCHEMBL1722730 0.76 L3MBTL1 (1.00) PKMMEN1KMT2ALMNAALDH1A1
SCHEMBL1722929 0.74 PKM (0.72) PKMLMNAALDH1A1PKLRNPC1
SCHEMBL2950538 0.73 PKM (1.00) PKMMEN1KMT2ALMNAALDH1A1
SCHEMBL18184068 0.73 LMNA (0.53) PKMMEN1KMT2ALMNATSHR

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-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
EP-3173415-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2017-05-31 EP 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-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
EP-2344453-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-07-20 EP disclosed
WO-2010042867-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-04-15 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 (4 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 PKM 4/4885MEN1 3578/4885KMT2A 268/4885
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 5/4885MEN1 3238/4885KMT2A 254/4885
US-20160199370-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885MEN1 3616/4885KMT2A 243/4885
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885MEN1 3616/4885KMT2A 243/4885

“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.