SCHEMBL7536063

SCHEMBL7536063

Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
TP53 P04637 2/20 0.59
THRB P10828 1/20 0.59
PKM P14618 7/20 0.59
LMNA P02545 3/20 0.59
MITF O75030 1/20 0.59
HTT P42858 1/20 0.59
SIRT6 Q8N6T7 1/20 0.57
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PIK3CD O00329 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7507424 0.84 MAPT (0.64) MAPTTP53THRBPKMLMNA
SCHEMBL7542658 0.82 SMN1; SMN2 (0.69) MAPTTP53THRBPKMLMNA
SCHEMBL10154024 0.81 MAPT (0.56) MAPTTP53THRBPKMLMNA
SCHEMBL7538604 0.81 MAPT (0.64) MAPTTP53THRBPKMLMNA
SCHEMBL7542725 0.81 TP53 (0.64) MAPTTP53THRBPKMLMNA
SCHEMBL7535410 0.79 MAPT (0.67) MAPTTP53THRBPKMLMNA
SCHEMBL7537864 0.79 MAPT (0.74) MAPTTP53THRBPKMLMNA
SCHEMBL7537801 0.78 MAPT (0.47) MAPTTP53THRBPKMLMNA
SCHEMBL7537219 0.76 SIRT6 (0.60) MAPTTP53THRBPKMLMNA
SCHEMBL7538680 0.75 HTR6 (0.71) MAPTTP53THRBPKMLMNA

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 MAPT 3769/4885TP53 302/4885THRB 313/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MAPT 2681/4885TP53 722/4885THRB 368/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MAPT 2681/4885TP53 722/4885THRB 368/4885

“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.