SCHEMBL7534545

SCHEMBL7534545

CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
PKM P14618 11/20 0.73
ALDH1A1 P00352 1/20 0.73
GAA P10253 1/20 0.73
LMNA P02545 3/20 0.57
HTT P42858 1/20 0.57
GFER P55789 1/20 0.57
TP53 P04637 3/20 0.56
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7537416 0.84 MEN1 (0.64) MEN1KMT2APKMALDH1A1GAA
SCHEMBL7537372 0.84 MEN1 (1.00) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL7538875 0.83 MEN1 (0.65) MEN1KMT2APKMALDH1A1GAA
SCHEMBL7535145 0.82 PKM (0.58) MEN1KMT2APKMALDH1A1GAA
SCHEMBL7540697 0.81 KMT2A (0.51) MEN1KMT2APKMALDH1A1GAA
SCHEMBL7539766 0.77 MEN1 (0.56) MEN1KMT2APKMALDH1A1GAA
SCHEMBL27651561 0.75 MAPT (0.69) MEN1KMT2APKMLMNATP53
SCHEMBL7537493 0.75 MEN1 (0.82) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL26538702 0.75 PKM (0.69) MEN1KMT2APKMALDH1A1GAA
SCHEMBL7543191 0.74 PKM (0.65) MEN1KMT2APKMALDH1A1GAA

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 4 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
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
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. 2012-05-17 US 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.