SCHEMBL7534907

SCHEMBL7534907

Cn1c(=O)oc2cc(S(=O)(=O)NC(C)(C)C)ccc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 3/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.62
GFER P55789 1/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
POLB P06746 3/20 0.59
TP53 P04637 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL10154000 0.84 PKM (0.69) PKMMEN1KMT2ALMNATSHR
SCHEMBL7505784 0.78 PKM (1.00) PKMMEN1KMT2ALMNATSHR
SCHEMBL3175230 0.78 PKM (0.63) PKMMEN1KMT2ALMNATSHR
SCHEMBL3372996 0.78 PKM (0.63) PKMMEN1KMT2ALMNATSHR
SCHEMBL7537999 0.76 PKM (1.00) PKMMEN1KMT2ALMNATSHR
SCHEMBL7541421 0.76 PKM (0.82) PKMMEN1KMT2ALMNATSHR
SCHEMBL7537372 0.76 MEN1 (1.00) PKMMEN1KMT2ALMNATSHR
SCHEMBL7533280 0.76 PKM (0.73) PKMMEN1KMT2ALMNATSHR
SCHEMBL7540407 0.76 ALDH1A1 (1.00) PKMMEN1KMT2ALMNATSHR
SCHEMBL7534901 0.75 PKM (0.83) PKMMEN1KMT2ALMNATSHR

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.