SCHEMBL7538374

SCHEMBL7538374

Cn1c(=O)sc2cc(NS(=O)(=O)c3cccs3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.68
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAPT P10636 3/20 0.60
TP53 P04637 2/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 3/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48

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
SCHEMBL7509086 0.90 PKM (0.68) PKMLMNASMN1; SMN2MAPTTP53
SCHEMBL7503383 0.78 LMNA (0.58) PKMLMNASMN1; SMN2MAPTTP53
SCHEMBL7500874 0.78 PKM (0.58) PKMLMNASMN1; SMN2TP53HPGD
SCHEMBL18371734 0.77 PKM (0.67) PKMLMNASMN1; SMN2MAPTTP53
SCHEMBL7537864 0.77 MAPT (0.74) PKMLMNASMN1; SMN2MAPTTP53
SCHEMBL7501667 0.74 LMNA (0.54) PKMLMNASMN1; SMN2TP53HPGD
SCHEMBL7538604 0.74 MAPT (0.64) PKMLMNASMN1; SMN2MAPTTP53
SCHEMBL29031229 0.73 MEN1 (0.77) PKMLMNASMN1; SMN2MAPTHPGD
SCHEMBL7570481 0.72 HPGD (0.68) PKMLMNASMN1; SMN2TP53HPGD
SCHEMBL7507424 0.72 MAPT (0.64) PKMLMNASMN1; SMN2MAPTTP53

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 4 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
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
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 PKM 5/4885LMNA 2326/4885SMN1; SMN2 4240/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885LMNA 863/4885SMN1; SMN2 1229/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885LMNA 863/4885SMN1; 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.