SCHEMBL1726337

SCHEMBL1726337

O=S(=O)(NCCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 12/20 1.00
PKLR P30613 10/20 1.00
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 3/20 0.58
MAPK1 P28482 1/20 0.57
HPGD P15428 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
SCHEMBL2240947 0.98 PKM (1.00) PKMPKLRALDH1A1KDM4EMAPT
SCHEMBL2235925 0.96 PKM (1.00) PKMPKLRALDH1A1KDM4EMAPT
SCHEMBL1723177 0.96 PKM (1.00) PKMPKLRALDH1A1KDM4EMAPT
SCHEMBL2239608 0.95 PKM (1.00) PKMPKLRALDH1A1MAPTTSHR
SCHEMBL2237404 0.78 PKM (1.00) PKMPKLRALDH1A1MAPK1
SCHEMBL2243915 0.78 PKM (1.00) PKMPKLRALDH1A1MAPK1
SCHEMBL1722914 0.77 PKM (1.00) PKMPKLR
SCHEMBL2239990 0.77 PKM (1.00) PKMPKLR
SCHEMBL19287200 0.75 ALDH1A1 (0.68) PKMPKLRALDH1A1KDM4EMAPT
SCHEMBL22187771 0.73 HPGD (0.71) PKMPKLRALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372230-B1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS INC (US) 2020-08-12 EP disclosed
EP-3372230-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA Agios Pharmaceuticals, Inc. (US) 2018-09-12 EP disclosed
EP-2704719-B1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS INC (US) 2018-02-21 EP disclosed
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
EP-2344453-B1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2016-12-28 EP 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
EP-2704719-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA Agios Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
WO-2012151450-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO 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 (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 6/4885ALDH1A1 1578/4885
US-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK2, PCK2 PKM 14/4885PKLR 26/4885ALDH1A1 1394/4885
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 5/4885PKLR 7/4885ALDH1A1 1687/4885
US-20160199370-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885PKLR 7/4885ALDH1A1 1852/4885
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885PKLR 7/4885ALDH1A1 1852/4885

“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.