SCHEMBL7536210

SCHEMBL7536210

Cc1cc2oc(=O)n(C)c2cc1S(=O)(=O)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 12/20 0.54
LMNA P02545 3/20 0.52
TP53 P04637 3/20 0.52
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL7541848 0.87 PKM (0.67) PKMLMNATP53KMT2AHTT
SCHEMBL7538701 0.85 PKM (0.55) PKMLMNATP53KMT2AHTT
SCHEMBL7534803 0.85 PKM (0.57) PKMLMNATP53KMT2AHTT
SCHEMBL7539651 0.85 PKM (0.57) PKMLMNATP53KMT2ASMN1; SMN2
SCHEMBL7537905 0.85 PKM (0.70) PKMLMNATP53KMT2ASMN1; SMN2
SCHEMBL7538429 0.84 PKM (0.71) PKMLMNATP53KMT2AMAPK1
SCHEMBL7543624 0.83 PKM (0.48) PKMLMNATP53KMT2ASMN1; SMN2
SCHEMBL7537494 0.83 PKM (0.60) PKMLMNATP53KMT2AHTT
SCHEMBL7539142 0.82 PKM (0.77) PKMLMNATP53KMT2ASMN1; SMN2
SCHEMBL7543535 0.81 TP53 (0.59) PKMLMNATP53SMN1; SMN2HTT

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 5/4885LMNA 2326/4885TP53 302/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885LMNA 863/4885TP53 722/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885LMNA 863/4885TP53 722/4885

“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.