SCHEMBL7539271

SCHEMBL7539271

Cc1cc(C)cc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
THRB P10828 1/20 0.48
GFER P55789 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
GPR55 Q9Y2T6 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7537874 0.95 PKM (0.51) PKMMEN1KMT2ATHRBGFER
SCHEMBL7538264 0.88 PKM (0.52) PKMMEN1KMT2AGFERMAPK1
SCHEMBL7532144 0.85 PKM (0.50) PKMMEN1KMT2AGFERMAPK1
SCHEMBL7541899 0.85 PKM (0.52) PKMMEN1KMT2AGFERTAS2R14
SCHEMBL7542415 0.84 PKM (0.68) PKMMEN1KMT2AGFERTAS2R14
SCHEMBL7536355 0.82 PKM (0.53) PKMMEN1KMT2ATHRBGFER
SCHEMBL16154946 0.82 PKM (0.47) PKMMEN1KMT2AGFERMAPK1
SCHEMBL7539660 0.81 THRB (0.69) PKMMEN1KMT2ATHRBGFER
SCHEMBL7538429 0.80 PKM (0.71) PKMMEN1KMT2AGFERTAS2R14
SCHEMBL7538271 0.80 PKM (0.60) PKMMEN1KMT2AGFERMAPK1

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 PKM 5/4885MEN1 3231/4885KMT2A 429/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MEN1 4239/4885KMT2A 848/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MEN1 4239/4885KMT2A 848/4885

“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.