SCHEMBL7541844

SCHEMBL7541844

Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.77
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
TP53 P04637 3/20 0.74
TSHR P16473 1/20 0.70
LMNA P02545 2/20 0.69
POLB P06746 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
GFER P55789 1/20 0.67
MAPT P10636 3/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GLA P06280 1/20 0.64
RAB9A P51151 1/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL7535411 0.91 PKM (0.78) PKMMEN1KMT2ATP53TSHR
SCHEMBL7536819 0.90 PKM (0.78) PKMMEN1KMT2ATP53TSHR
SCHEMBL7534901 0.90 PKM (0.83) PKMMEN1KMT2ATP53TSHR
SCHEMBL7537999 0.87 PKM (1.00) PKMMEN1KMT2ATP53TSHR
SCHEMBL7538349 0.85 PKM (1.00) PKMMEN1KMT2ATP53LMNA
SCHEMBL7543838 0.85 PKM (0.81) PKMMEN1KMT2ATP53TSHR
SCHEMBL7537372 0.85 MEN1 (1.00) PKMMEN1KMT2ATP53TSHR
SCHEMBL7541421 0.85 PKM (0.82) PKMMEN1KMT2ATP53TSHR
SCHEMBL7537500 0.85 PKM (0.72) PKMMEN1KMT2ATP53TSHR
SCHEMBL7541921 0.84 PKM (0.73) PKMMEN1KMT2ATP53TSHR

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.