SCHEMBL9959474

SCHEMBL9959474

Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.64
MAPK1 P28482 1/20 0.64
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TAS2R14 Q9NYV8 1/20 0.53
MAPT P10636 9/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
SCN9A Q15858 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL10075476 0.80 PKM (0.56) PKMKDM4EMAPTPOLBSMN1; SMN2
SCHEMBL10075472 0.79 ALDH1A1 (0.57) PKMHTTMAPTPOLBSMN1; SMN2
SCHEMBL10075480 0.78 MAPT (0.59) PKMMAPK1HTTMAPTPOLB
SCHEMBL15818506 0.78 PKM (0.58) PKMKDM4EMAPTPOLBSMN1; SMN2
SCHEMBL10075475 0.77 MAPT (0.53) PKMKDM4EMAPTPOLBKMT2A
SCHEMBL10153730 0.77 PDE3B (0.45) PKMTAS2R14MAPTPOLBKMT2A
SCHEMBL10075619 0.77 MAPT (0.62) PKMMAPTPOLBTP53
SCHEMBL2594417 0.76 PKM (0.69) PKMMAPTPOLBKMT2ATP53
SCHEMBL10075620 0.74 PKM (0.60) PKMHTTTAS2R14MAPTPOLB
SCHEMBL10075477 0.74 SMN1; SMN2 (0.62) PKMHTTTAS2R14SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-09-29 US claimed
US-9328077-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC (US) 2016-05-03 US claimed
EP-2655350-B1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS INC (US) 2016-03-09 EP claimed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US claimed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US claimed
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-01-09 US claimed
EP-2655350-A1 BICYCLIC PKM2 ACTIVATORS Agios Pharmaceuticals, Inc. (US) 2013-10-30 EP claimed
WO-2012151440-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 claimed
WO-2012088314-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC. (US) 2012-06-28 WO claimed
US-10087169-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
US-20170369481-A1 Bicyclic PKM2 Activators AGIOS PHARMACEUTICALS, INC. 2017-12-28 US disclosed
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-09-29 US disclosed
US-9328077-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC (US) 2016-05-03 US disclosed
EP-2655350-B1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US disclosed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US disclosed
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-01-09 US disclosed
EP-2655350-A1 BICYCLIC PKM2 ACTIVATORS Agios Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012151440-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
WO-2012088314-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC. (US) 2012-06-28 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-10087169-B2 Bicyclic PKM2 activators PDK2, PDK3, PDK1 PKM 6/4885MAPK1 864/4885KDM4E 630/4885
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS PDK2, PDK1, PDK3 PKM 5/4885MAPK1 503/4885KDM4E 700/4885
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE PDK1, PDK2, PCK1 PKM 7/4885MAPK1 1467/4885KDM4E 803/4885
US-20170369481-A1 Bicyclic PKM2 Activators PDK2, PDK3, PDK1 PKM 6/4885MAPK1 864/4885KDM4E 630/4885
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP PKM 9/4885MAPK1 1297/4885KDM4E 1772/4885

“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.