SCHEMBL7542415

SCHEMBL7542415

Cc1cc2c(cc1S(=O)(=O)Nc1ccc(F)cc1)oc(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.68
TAS2R14 Q9NYV8 1/20 0.68
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
GFER P55789 1/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 2/20 0.52
GPR55 Q9Y2T6 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7537618 0.95 PKM (0.68) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL7540474 0.87 MEN1 (0.69) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL7535145 0.85 PKM (0.58) PKMTAS2R14MEN1KMT2ALMNA
SCHEMBL7536732 0.85 MEN1 (0.66) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL7536355 0.84 PKM (0.53) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL7539271 0.84 PKM (0.51) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL7538485 0.84 PKM (0.72) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL7541848 0.83 PKM (0.67) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL7538429 0.82 PKM (0.71) PKMTAS2R14MEN1KMT2AGFER
SCHEMBL1615925 0.81 PKM (1.00) PKMTAS2R14LMNATP53GPR55

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 PKM 5/4885TAS2R14 2583/4885MEN1 3231/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885TAS2R14 4657/4885MEN1 4239/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885TAS2R14 4657/4885MEN1 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.