SCHEMBL7538701

SCHEMBL7538701

Cc1cc2oc(=O)n(C)c2cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 12/20 0.55
TP53 P04637 3/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
CCNA1 P78396 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GFER P55789 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7534803 0.93 PKM (0.57) PKMTP53CDK1CCNB1CCNA2
SCHEMBL7537494 0.90 PKM (0.60) PKMTP53MEN1KMT2AGFER
SCHEMBL7539651 0.90 PKM (0.57) PKMTP53CDK1CCNB1CCNA2
SCHEMBL7541848 0.88 PKM (0.67) PKMTP53MEN1KMT2AGFER
SCHEMBL7542884 0.87 TP53 (0.54) PKMTP53MEN1KMT2AGFER
SCHEMBL7538429 0.87 PKM (0.71) PKMTP53MEN1KMT2AGFER
SCHEMBL7536210 0.85 PKM (0.54) PKMTP53MEN1KMT2ALMNA
SCHEMBL13075716 0.85 TP53 (0.56) PKMTP53MEN1KMT2AGFER
SCHEMBL16002514 0.85 TP53 (0.56) PKMTP53MEN1KMT2AGFER
SCHEMBL7538485 0.84 PKM (0.72) PKMTP53MEN1KMT2AGFER

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 5/4885TP53 302/4885CDK1 450/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885TP53 722/4885CDK1 1275/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885TP53 722/4885CDK1 1275/4885

“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.