SCHEMBL7543535

SCHEMBL7543535

COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.59
PKM P14618 2/20 0.54
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.52
PTPN2 P17706 2/20 0.51
PTPN1 P18031 2/20 0.51
PTPN5 P54829 2/20 0.51
BRD4 O60885 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALPL P05186 4/20 0.48
BRPF1 P55201 1/20 0.47
IDH1 O75874 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
SCHEMBL7499285 0.89 BRD4 (0.61) TP53PKMHTTBRD4SMN1; SMN2
SCHEMBL7541848 0.89 PKM (0.67) TP53PKMHTTLMNAIDH1
SCHEMBL7533432 0.88 ALDH1A1 (0.53) TP53PKMLMNABRD4BRPF1
SCHEMBL15999617 0.88 TP53 (0.70) TP53PKMHTTNPSR1LMNA
SCHEMBL7501360 0.86 BRD4 (0.57) TP53PKMHTTBRD4SMN1; SMN2
SCHEMBL7534833 0.84 ALDH1A1 (0.53) TP53PKMLMNABRD4BRPF1
SCHEMBL7501770 0.84 TP53 (0.55) TP53PKMHTTBRD4SMN1; SMN2
SCHEMBL7507552 0.82 TSHR (0.59) TP53PKMHTTBRD4SMN1; SMN2
SCHEMBL7536210 0.81 PKM (0.54) TP53PKMHTTLMNABRD4
SCHEMBL7534803 0.80 PKM (0.57) TP53PKMHTTLMNA

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 TP53 302/4885PKM 5/4885HTT 4166/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885PKM 11/4885HTT 2863/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885PKM 11/4885HTT 2863/4885

“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.