SCHEMBL7532144

SCHEMBL7532144

Cc1cc(C)cc(NS(=O)(=O)c2cc3c(cc2Cl)oc(=O)n3C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.50
TP53 P04637 4/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GFER P55789 1/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7537874 0.88 PKM (0.51) PKMTP53MEN1KMT2AGFER
SCHEMBL7541899 0.85 PKM (0.52) PKMTP53MEN1KMT2AGFER
SCHEMBL7542496 0.85 PKM (0.69) PKMTP53MEN1KMT2AGFER
SCHEMBL7539271 0.85 PKM (0.51) PKMTP53MEN1KMT2AGFER
SCHEMBL7536732 0.83 MEN1 (0.66) PKMTP53MEN1KMT2AGFER
SCHEMBL7538264 0.83 PKM (0.52) PKMTP53MEN1KMT2AGFER
SCHEMBL7535428 0.80 KMT2A (0.54) PKMTP53MEN1KMT2AHTT
SCHEMBL7533091 0.79 TSHR (0.49) PKMTP53MEN1KMT2AMAPK1
SCHEMBL7534803 0.78 PKM (0.57) PKMTP53MEN1KMT2AGFER
SCHEMBL7538701 0.78 PKM (0.55) 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 4 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
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
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. 2012-05-17 US 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 302/4885MEN1 3231/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885TP53 722/4885MEN1 4239/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885TP53 722/4885MEN1 4239/4885

“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.