SCHEMBL7536020

SCHEMBL7536020

Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)cc2oc(=O)n(C)c12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL7536103 0.85 PKM (0.57) PKMTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL7543069 0.84 PKM (0.44) PKMTP53LMNASMN1; SMN2MAPK1
SCHEMBL7541742 0.83 PKM (0.60) PKMTP53LMNASMN1; SMN2HTT
SCHEMBL7539142 0.82 PKM (0.77) PKMTP53LMNASMN1; SMN2MAPK1
SCHEMBL7536210 0.78 PKM (0.54) PKMTP53LMNASMN1; SMN2MAPK1
SCHEMBL7503536 0.72 PKM (0.61) PKMTP53LMNASMN1; SMN2MAPK1
SCHEMBL7536037 0.71 PKM (0.55) PKMTP53LMNASMN1; SMN2MAPK1
SCHEMBL18306665 0.71 PKM (0.53) PKMTP53LMNASMN1; SMN2MAPK1
SCHEMBL7541421 0.71 PKM (0.82) PKMTP53LMNASMN1; SMN2MAPK1
SCHEMBL7537514 0.70 EGFR (0.49) PKMTP53LMNASMN1; SMN2ALDH1A1

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

“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.