SCHEMBL7536201

SCHEMBL7536201

Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 12/20 0.74
LMNA P02545 4/20 0.74
TP53 P04637 2/20 0.74
SMN1; SMN2 Q16637 4/20 0.69
HTT P42858 3/20 0.69
MAPK1 P28482 1/20 0.69
ALDH1A1 P00352 2/20 0.67
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
GFER P55789 1/20 0.62
USP2 O75604 1/20 0.60
GLA P06280 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 2/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL3026295 0.91 PKM (0.65) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7505784 0.84 PKM (1.00) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7539142 0.83 PKM (0.77) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7537500 0.82 PKM (0.72) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7536801 0.81 PKM (1.00) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7534901 0.80 PKM (0.83) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7533280 0.79 PKM (0.73) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7537493 0.79 MEN1 (0.82) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7537372 0.79 MEN1 (1.00) PKMLMNATP53SMN1; SMN2HTT
SCHEMBL7535830 0.79 MEN1 (0.77) PKMLMNATP53SMN1; SMN2HTT

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 5/4885LMNA 2326/4885TP53 302/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885LMNA 863/4885TP53 722/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885LMNA 863/4885TP53 722/4885

“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.