SCHEMBL7541452

SCHEMBL7541452

Cc1cc2oc(=O)n(C)c2cc1S(=O)(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.70
MAPT P10636 4/20 0.70
ALDH1A1 P00352 3/20 0.70
USP2 O75604 3/20 0.70
GLA P06280 1/20 0.70
RAB9A P51151 1/20 0.70
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 3/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.50
TAS2R14 Q9NYV8 2/20 0.50
IDH1 O75874 1/20 0.48
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 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
SCHEMBL7538429 0.84 PKM (0.71) PKMMAPTALDH1A1USP2GLA
SCHEMBL7542214 0.83 PKM (1.00) PKMMAPTALDH1A1USP2GLA
SCHEMBL7538485 0.81 PKM (0.72) PKMMAPTALDH1A1USP2GLA
SCHEMBL7538701 0.81 PKM (0.55) PKMMAPTALDH1A1USP2GLA
SCHEMBL7534803 0.81 PKM (0.57) PKMMAPTALDH1A1USP2GLA
SCHEMBL7541848 0.81 PKM (0.67) PKMALDH1A1MEN1KMT2AHTT
SCHEMBL7537618 0.81 PKM (0.68) PKMALDH1A1MEN1KMT2AHTT
SCHEMBL7537874 0.79 PKM (0.51) PKMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7539651 0.79 PKM (0.57) PKMMAPTMEN1KMT2AHPGD
SCHEMBL7537494 0.79 PKM (0.60) PKMMAPTALDH1A1USP2GLA

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 5/4885MAPT 3769/4885ALDH1A1 1326/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MAPT 2681/4885ALDH1A1 1390/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MAPT 2681/4885ALDH1A1 1390/4885

“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.