SCHEMBL7538485

SCHEMBL7538485

Cc1ccc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)cc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 13/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
TAS2R14 Q9NYV8 1/20 0.53
LMNA P02545 3/20 0.50
TP53 P04637 3/20 0.50
BRD1 O95696 1/20 0.50
BRPF1 P55201 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
GFER P55789 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL7537494 0.90 PKM (0.60) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7538429 0.90 PKM (0.71) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7537618 0.88 PKM (0.68) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7539651 0.88 PKM (0.57) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7536355 0.85 PKM (0.53) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7534803 0.84 PKM (0.57) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7538701 0.84 PKM (0.55) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7538349 0.84 PKM (1.00) PKMMEN1KMT2ALMNATP53
SCHEMBL7537749 0.84 POLB (0.52) PKMMEN1KMT2ATAS2R14LMNA
SCHEMBL7542415 0.84 PKM (0.68) PKMMEN1KMT2ATAS2R14LMNA

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 5/4885MEN1 3231/4885KMT2A 429/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MEN1 4239/4885KMT2A 848/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MEN1 4239/4885KMT2A 848/4885

“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.