SCHEMBL7534550

SCHEMBL7534550

Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
PKM P14618 12/20 0.72
POLB P06746 3/20 0.72
LMNA P02545 4/20 0.64
TSHR P16473 2/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 1/20 0.59
GFER P55789 1/20 0.58

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
SCHEMBL7539332 0.84 PKM (0.64) MEN1KMT2APKMPOLBLMNA
SCHEMBL16383905 0.84 MEN1 (0.77) MEN1KMT2APKMPOLBLMNA
SCHEMBL7541615 0.84 MEN1 (0.77) MEN1KMT2APKMPOLBLMNA
SCHEMBL7502152 0.84 MEN1 (0.77) MEN1KMT2APKMPOLBLMNA
SCHEMBL12482368 0.83 PKM (1.00) MEN1KMT2APKMPOLBLMNA
SCHEMBL12406984 0.81 PKM (0.80) MEN1KMT2APKMPOLBLMNA
SCHEMBL7505784 0.81 PKM (1.00) MEN1KMT2APKMPOLBLMNA
SCHEMBL7539319 0.81 PKM (0.76) MEN1KMT2APKMPOLBLMNA
SCHEMBL7533280 0.79 PKM (0.73) MEN1KMT2APKMPOLBLMNA
SCHEMBL7538680 0.77 HTR6 (0.71) MEN1KMT2APKMPOLBLMNA

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 MEN1 3231/4885KMT2A 429/4885PKM 5/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MEN1 4239/4885KMT2A 848/4885PKM 11/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MEN1 4239/4885KMT2A 848/4885PKM 11/4885

“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.