SCHEMBL7542725

SCHEMBL7542725

Cn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.64
MAPT P10636 3/20 0.64
THRB P10828 1/20 0.64
SIRT6 Q8N6T7 1/20 0.56
PKM P14618 7/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP19A1 P11511 1/20 0.47
HTT P42858 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
SCHEMBL7535410 0.84 MAPT (0.67) TP53MAPTTHRBSIRT6PKM
SCHEMBL7538604 0.81 MAPT (0.64) TP53MAPTTHRBSIRT6PKM
SCHEMBL7536063 0.81 MAPT (0.62) TP53MAPTTHRBSIRT6PKM
SCHEMBL7542658 0.81 SMN1; SMN2 (0.69) TP53MAPTTHRBSIRT6PKM
SCHEMBL7507424 0.80 MAPT (0.64) TP53MAPTTHRBSIRT6PKM
SCHEMBL7537864 0.77 MAPT (0.74) TP53MAPTTHRBSIRT6PKM
SCHEMBL10154024 0.77 MAPT (0.56) TP53MAPTTHRBSIRT6PKM
SCHEMBL15010215 0.77 ALDH1A1 (0.57) TP53MAPTTHRBPKMALDH1A1
SCHEMBL7539142 0.77 PKM (0.77) TP53MAPTPKMALDH1A1TSHR
SCHEMBL7537219 0.76 SIRT6 (0.60) TP53MAPTTHRBSIRT6PKM

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