SCHEMBL1711099

SCHEMBL1711099

CCOC(=O)c1[nH]c2cc([N+](=O)[O-])sc2c1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 7/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AR P10275 1/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL17916205 0.84 ALDH1A1 (0.46) ALOX15ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL1710999 0.81 ALOX15 (0.53) ALOX15ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL29951458 0.74 ALOX15 (0.58) ALOX15ALDH1A1LMNAMAPTPOLB
SCHEMBL12346499 0.74 LMNA (0.71) ALDH1A1LMNAL3MBTL1MAPTPOLB
SCHEMBL12346533 0.73 ALDH1A1 (0.49) ALOX15ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL1723082 0.73 ALOX15 (0.55) ALOX15ALDH1A1LMNAMAPTPOLB
SCHEMBL7252037 0.71 ALOX15 (0.46) ALOX15ALDH1A1LMNAMAPTPOLB
SCHEMBL7249984 0.70 ALDH1A1 (0.50) ALOX15ALDH1A1LMNAMAPTPOLB
SCHEMBL15333406 0.70 FBP1 (0.54) ALOX15ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL7518403 0.70 ALDH1A1 (0.55) ALOX15ALDH1A1LMNAL3MBTL1MAPT

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 34 patents — showing the first 20. 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-3173415-B1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2019-06-05 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
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-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-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-9403792-B2 Methods of using pyruvate kinase activators AGIOS PHARMACEUTICALS, INC (US) 2016-08-02 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-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
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US Dept. of Health and Human Services (US) 2011-08-11 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
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 (3 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-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK2, PCK2 ALOX15 3519/4885ALDH1A1 1394/4885LMNA 1891/4885
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 ALOX15 4584/4885ALDH1A1 1687/4885LMNA 1711/4885
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 ALOX15 3998/4885ALDH1A1 1852/4885LMNA 2136/4885

“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.