SCHEMBL7534161

SCHEMBL7534161

COc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
PKM P14618 11/20 0.70
TP53 P04637 4/20 0.68
LMNA P02545 3/20 0.67
ALDH1A1 P00352 2/20 0.67
GFER P55789 1/20 0.67
TSHR P16473 1/20 0.67
POLB P06746 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPK1 P28482 1/20 0.61
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
SCHEMBL7541039 0.84 PKM (0.75) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7541421 0.83 PKM (0.82) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7537493 0.83 MEN1 (0.82) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7537372 0.83 MEN1 (1.00) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7505784 0.83 PKM (1.00) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7537999 0.81 PKM (1.00) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7539660 0.80 THRB (0.69) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7539319 0.80 PKM (0.76) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7543496 0.80 PKM (1.00) HTTSMN1; SMN2MEN1KMT2APKM
SCHEMBL7534901 0.79 PKM (0.83) HTTSMN1; SMN2MEN1KMT2APKM

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 HTT 4166/4885SMN1; SMN2 4240/4885MEN1 3231/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 HTT 2863/4885SMN1; SMN2 1229/4885MEN1 4239/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 HTT 2863/4885SMN1; SMN2 1229/4885MEN1 4239/4885

“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.