SCHEMBL12346552

SCHEMBL12346552

COc1cc(F)c(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 18/20 0.75
PKLR P30613 9/20 0.70
KDM4E B2RXH2 2/20 0.62
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL12354651 0.86 PKM (1.00) PKMPKLRKDM4EMEN1MAPT
SCHEMBL12346549 0.84 MEN1 (0.60) PKMKDM4EHTTMEN1KMT2A
SCHEMBL2239660 0.82 PKM (1.00) PKMPKLRKDM4EHTTMEN1
SCHEMBL1710881 0.78 PKM (1.00) PKMPKLRKDM4EHTTMEN1
SCHEMBL29548980 0.78 PKM (1.00) PKMPKLRKDM4EHTTMEN1
SCHEMBL12346547 0.76 PKM (0.77) PKMKDM4EMEN1MAPTKMT2A
SCHEMBL4186845 0.76 PKM (0.76) PKMPKLRKDM4EHTTMEN1
SCHEMBL1722416 0.74 PKM (1.00) PKMPKLRKDM4EHTTMEN1
SCHEMBL1719967 0.74 PKM (1.00) PKMPKLRNPC1RAB9A
SCHEMBL12346554 0.74 SMN1; SMN2 (0.80) PKMKDM4EHTTMEN1MAPT

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 PKM 4/4885PKLR 6/4885KDM4E 532/4885
US-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK2, PCK2 PKM 14/4885PKLR 26/4885KDM4E 1245/4885
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 5/4885PKLR 7/4885KDM4E 633/4885
US-20160199370-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885PKLR 7/4885KDM4E 482/4885
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885PKLR 7/4885KDM4E 482/4885

“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.