SCHEMBL7536801

SCHEMBL7536801

CCc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 12/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
MAPK1 P28482 1/20 1.00
LMNA P02545 6/20 0.72
TP53 P04637 2/20 0.72
HTT P42858 3/20 0.70
KMT2A Q03164 5/20 0.69
ALDH1A1 P00352 2/20 0.69
MEN1 O00255 4/20 0.64
GFER P55789 1/20 0.64
USP2 O75604 1/20 0.61
GLA P06280 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL7505784 0.85 PKM (1.00) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7539142 0.84 PKM (0.77) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7537905 0.83 PKM (0.70) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7536201 0.81 PKM (0.74) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7539319 0.80 PKM (0.76) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7543496 0.79 PKM (1.00) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7541039 0.79 PKM (0.75) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7534901 0.78 PKM (0.83) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7536819 0.78 PKM (0.78) PKMSMN1; SMN2MAPK1LMNATP53
SCHEMBL7541421 0.78 PKM (0.82) PKMSMN1; SMN2MAPK1LMNATP53

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 PKM 5/4885SMN1; SMN2 4240/4885MAPK1 1426/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885SMN1; SMN2 1229/4885MAPK1 1538/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885SMN1; SMN2 1229/4885MAPK1 1538/4885

“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.