SCHEMBL7538680

SCHEMBL7538680

Cn1c(=O)sc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.71
PIK3CD O00329 1/20 0.52
RECQL P46063 1/20 0.51
MAPT P10636 3/20 0.51
SIRT6 Q8N6T7 1/20 0.50
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
PKM P14618 3/20 0.47
GAA P10253 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 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
SCHEMBL7538714 0.84 SIRT6 (0.53) HTR6PIK3CDMAPTSIRT6TP53
SCHEMBL7538604 0.81 MAPT (0.64) HTR6PIK3CDMAPTSIRT6TP53
SCHEMBL7534550 0.77 MEN1 (0.73) TP53ALDH1A1KMT2AMEN1PKM
SCHEMBL10154024 0.76 MAPT (0.56) HTR6PIK3CDMAPTSIRT6TP53
SCHEMBL7542725 0.76 TP53 (0.64) MAPTSIRT6TP53THRBALDH1A1
SCHEMBL7536063 0.75 MAPT (0.62) PIK3CDMAPTSIRT6TP53THRB
SCHEMBL7507424 0.74 MAPT (0.64) RECQLMAPTSIRT6TP53THRB
SCHEMBL7537219 0.73 SIRT6 (0.60) HTR6PIK3CDMAPTSIRT6TP53
SCHEMBL9942077 0.73 RECQL (0.71) HTR6RECQLMAPTALDH1A1KMT2A
SCHEMBL16291482 0.72 RECQL (0.65) HTR6RECQLMAPTALDH1A1KMT2A

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 6 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

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 HTR6 3121/4885PIK3CD 579/4885RECQL 3506/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 HTR6 3610/4885PIK3CD 2059/4885RECQL 2871/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 HTR6 3610/4885PIK3CD 2059/4885RECQL 2871/4885

“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.