SCHEMBL7501667

SCHEMBL7501667

CCC(C)n1c(=O)sc2ccc(NS(=O)(=O)c3cccs3)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
PKM P14618 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 3/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
HIF1A Q16665 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL7500874 0.89 PKM (0.58) LMNAPKMSMN1; SMN2HPGDALDH1A1
SCHEMBL7503383 0.83 LMNA (0.58) LMNAPKMSMN1; SMN2HPGDRECQL
SCHEMBL7509086 0.81 PKM (0.68) LMNAPKMSMN1; SMN2HPGDALDH1A1
SCHEMBL7538374 0.74 PKM (0.68) LMNAPKMSMN1; SMN2HPGDALDH1A1
SCHEMBL7501868 0.69 LMNA (0.57) LMNAPKMSMN1; SMN2HPGDRECQL
SCHEMBL29031229 0.68 MEN1 (0.77) LMNAPKMSMN1; SMN2HPGDRECQL
SCHEMBL7509034 0.67 BRD4 (0.57) LMNAPKMSMN1; SMN2HPGDALDH1A1
SCHEMBL7570481 0.66 HPGD (0.68) LMNAPKMSMN1; SMN2HPGDRECQL
SCHEMBL8366964 0.66 ALDH1A1 (0.75) LMNAPKMSMN1; SMN2HPGDRECQL
SCHEMBL18371734 0.65 PKM (0.67) LMNAPKMSMN1; SMN2HPGDALDH1A1

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 8 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-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-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-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
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 LMNA 2326/4885PKM 5/4885SMN1; SMN2 4240/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 LMNA 863/4885PKM 11/4885SMN1; SMN2 1229/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 LMNA 863/4885PKM 11/4885SMN1; 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.