SCHEMBL7536652

SCHEMBL7536652

Cn1c(=O)oc2cc(F)c(S(=O)(=O)Nc3c(F)cccc3F)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PSMD14 O00487 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL7537749 0.90 POLB (0.52) PKMLMNATP53MEN1KMT2A
SCHEMBL7533091 0.89 TSHR (0.49) PKMLMNATP53MEN1KMT2A
SCHEMBL7541867 0.86 PKM (0.65) PKMLMNATP53MEN1KMT2A
SCHEMBL7540474 0.84 MEN1 (0.69) PKMLMNATP53MEN1KMT2A
SCHEMBL7533280 0.82 PKM (0.73) PKMLMNATP53MEN1KMT2A
SCHEMBL7540727 0.82 PKM (0.66) PKMLMNATP53MEN1KMT2A
SCHEMBL7541899 0.81 PKM (0.52) PKMLMNATP53MEN1KMT2A
SCHEMBL7503080 0.80 TSHR (0.55) PKMLMNATP53MEN1KMT2A
SCHEMBL7536944 0.79 MEN1 (0.57) PKMLMNATP53MEN1KMT2A
SCHEMBL7535668 0.78 TSHR (0.55) PKMLMNATP53MEN1KMT2A

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.