SCHEMBL7543624

SCHEMBL7543624

Cc1cc2oc(=O)n(C)c2cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.42
ACLY P53396 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7536355 0.92 PKM (0.53) PKMMEN1KMT2ATP53LMNA
SCHEMBL7537618 0.84 PKM (0.68) PKMMEN1KMT2ATP53LMNA
SCHEMBL7541848 0.84 PKM (0.67) PKMMEN1KMT2ATP53LMNA
SCHEMBL7539651 0.84 PKM (0.57) PKMMEN1KMT2ATP53LMNA
SCHEMBL7536210 0.83 PKM (0.54) PKMMEN1KMT2ATP53LMNA
SCHEMBL7537874 0.83 PKM (0.51) PKMMEN1KMT2ATP53TAS2R14
SCHEMBL7537494 0.82 PKM (0.60) PKMMEN1KMT2ATP53LMNA
SCHEMBL7541921 0.81 PKM (0.73) PKMMEN1KMT2ATP53LMNA
SCHEMBL7534803 0.80 PKM (0.57) PKMMEN1KMT2ATP53LMNA
SCHEMBL7538485 0.80 PKM (0.72) PKMMEN1KMT2ATP53LMNA

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

“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.