SCHEMBL7539740

SCHEMBL7539740

CC(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
PKM P14618 7/20 0.52
GFER P55789 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TAS2R14 Q9NYV8 1/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL7537618 0.85 PKM (0.68) TP53PKMGFERPOLBTDP1
SCHEMBL7541848 0.85 PKM (0.67) TP53PKMGFERPOLBTDP1
SCHEMBL7538429 0.84 PKM (0.71) TP53MAPTPKMGFERPOLB
SCHEMBL7537874 0.81 PKM (0.51) TP53PKMGFERPOLBMEN1
SCHEMBL7534803 0.81 PKM (0.57) TP53MAPTPKMGFERPOLB
SCHEMBL7538485 0.81 PKM (0.72) TP53MAPTPKMGFERPOLB
SCHEMBL7538701 0.81 PKM (0.55) TP53MAPTPKMGFERPOLB
SCHEMBL7542415 0.81 PKM (0.68) TP53PKMGFERPOLBTDP1
SCHEMBL7536355 0.79 PKM (0.53) TP53PKMGFERPOLBTDP1
SCHEMBL7539651 0.78 PKM (0.57) TP53MAPTPKMPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS INC (US) 2017-01-12 US disclosed
EP-2427441-B1 PKM2 ACTIVATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8501953-B2 PKM2 modulators for use in the treatment of cancer AGIOS PHARMACEUTICALS, INC (US) 2013-08-06 US disclosed
WO-2013056153-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE KUNG CHARLES (US) 2013-04-18 WO disclosed
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. 2012-05-17 US disclosed
WO-2010129596-A1 PMK2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2010-11-11 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-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER PDK2, PDK1, PDK3 TP53 302/4885MAPT 3769/4885PKM 5/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885MAPT 2681/4885PKM 11/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885MAPT 2681/4885PKM 11/4885

“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.