SCHEMBL7542214

SCHEMBL7542214

Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 13/20 1.00
ALDH1A1 P00352 3/20 1.00
USP2 O75604 1/20 1.00
GLA P06280 1/20 1.00
MAPT P10636 1/20 1.00
RAB9A P51151 1/20 1.00
MEN1 O00255 4/20 0.88
KMT2A Q03164 4/20 0.88
HTT P42858 4/20 0.88
LMNA P02545 4/20 0.88
HPGD P15428 2/20 0.88
GFER P55789 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.66
TAS2R14 Q9NYV8 2/20 0.66
TP53 P04637 3/20 0.63
POLB P06746 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
TSHR P16473 2/20 0.61
MAPK1 P28482 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
SCHEMBL7535957 0.93 PKM (1.00) PKMALDH1A1USP2GLAMAPT
SCHEMBL7541452 0.83 PKM (0.70) PKMALDH1A1USP2GLAMAPT
SCHEMBL7543496 0.81 PKM (1.00) PKMALDH1A1USP2GLAMAPT
SCHEMBL7536819 0.81 PKM (0.78) PKMALDH1A1USP2GLAMAPT
SCHEMBL7534901 0.81 PKM (0.83) PKMALDH1A1USP2GLAMAPT
SCHEMBL7537372 0.80 MEN1 (1.00) PKMALDH1A1USP2GLAMAPT
SCHEMBL7537999 0.80 PKM (1.00) PKMALDH1A1USP2GLAMAPT
SCHEMBL7505784 0.80 PKM (1.00) PKMALDH1A1MEN1KMT2AHTT
SCHEMBL7539319 0.80 PKM (0.76) PKMALDH1A1USP2GLAMAPT
SCHEMBL1616041 0.79 PKM (1.00) PKMALDH1A1USP2GLAMAPT

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 5/4885ALDH1A1 1326/4885USP2 3697/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885ALDH1A1 1390/4885USP2 2751/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885ALDH1A1 1390/4885USP2 2751/4885

“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.