SCHEMBL7539660

SCHEMBL7539660

COc1cc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.69
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 9/20 0.49
TP53 P04637 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.43

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 0.85 PKM (0.51) THRBHTTSMN1; SMN2PKMTP53
SCHEMBL7536355 0.83 PKM (0.53) THRBHTTSMN1; SMN2PKMTP53
SCHEMBL7537618 0.82 PKM (0.68) HTTPKMTP53MEN1KMT2A
SCHEMBL7538429 0.81 PKM (0.71) HTTPKMTP53MEN1KMT2A
SCHEMBL7539271 0.81 PKM (0.51) THRBHTTSMN1; SMN2PKMTP53
SCHEMBL7534161 0.80 HTT (0.76) HTTSMN1; SMN2PKMTP53MEN1
SCHEMBL7541848 0.80 PKM (0.67) HTTPKMTP53MEN1KMT2A
SCHEMBL7543535 0.79 TP53 (0.59) HTTSMN1; SMN2PKMTP53LMNA
SCHEMBL7543624 0.79 PKM (0.48) THRBHTTSMN1; SMN2PKMTP53
SCHEMBL7538485 0.78 PKM (0.72) HTTSMN1; SMN2PKMTP53MEN1

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 THRB 313/4885HTT 4166/4885SMN1; SMN2 4240/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 THRB 368/4885HTT 2863/4885SMN1; SMN2 1229/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 THRB 368/4885HTT 2863/4885SMN1; SMN2 1229/4885

“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.