SCHEMBL12346543

SCHEMBL12346543

CC(=O)Nc1ccc(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.73
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ KDM4E B2RXH2 7/20 0.59
▸ ALDH1A1 P00352 6/20 0.57
▸ HTT P42858 3/20 0.57
▸ LMNA P02545 2/20 0.54
▸ KDM4C Q9H3R0 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PKLR P30613 1/20 0.52
▸ GAA P10253 1/20 0.52

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
SCHEMBL12354637 0.84 PKM (1.00) PKMSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL12346556 0.82 PKM (0.61) PKMSMN1; SMN2KMT2AMEN1POLB
SCHEMBL30513335 0.80 SMN1; SMN2 (0.79) SMN1; SMN2KMT2AMEN1POLBKDM4E
SCHEMBL12346544 0.79 PKM (0.68) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL28961516 0.75 ALDH1A1 (0.66) PKMPOLBKDM4EALDH1A1HTT
SCHEMBL16587845 0.75 ALDH1A1 (0.75) SMN1; SMN2KMT2AMEN1POLBKDM4E
SCHEMBL4040330 0.75 KDM4E (0.75) PKMSMN1; SMN2KMT2AMEN1POLB
SCHEMBL23775577 0.74 KDM4E (0.69) PKMSMN1; SMN2KMT2AMEN1POLB
SCHEMBL28919050 0.74 HTT (0.54) PKMKMT2APOLBALDH1A1HTT
SCHEMBL14586771 0.73 KDM4E (0.73) SMN1; SMN2KMT2AMEN1POLBKDM4E

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 4/4885SMN1; SMN2 2433/4885KMT2A 268/4885
US-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK2, PCK2 PKM 14/4885SMN1; SMN2 2378/4885KMT2A 981/4885
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 5/4885SMN1; SMN2 2576/4885KMT2A 254/4885
US-20160199370-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885SMN1; SMN2 2504/4885KMT2A 243/4885
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885SMN1; SMN2 2504/4885KMT2A 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.

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