SCHEMBL7501897

SCHEMBL7501897

Cn1c(=O)sc2cc(S(=O)(=O)N3CCNCC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL7504326 0.85 POLB (0.52) PKMHSD17B10MEN1KMT2AKDM4E
SCHEMBL7504739 0.81 APOBEC3A (0.53) PKMHSD17B10MEN1KMT2AKDM4E
SCHEMBL7502364 0.81 PKM (0.59) PKMHSD17B10MEN1KMT2AKDM4E
SCHEMBL7504060 0.80 PKM (0.60) PKMMEN1KMT2AHPGDTP53
SCHEMBL7504118 0.79 PKM (0.56) PKMHSD17B10MEN1KMT2AKDM4E
SCHEMBL7503933 0.78 NPSR1 (0.69) HSD17B10KDM4EALDH1A1GAAMAPT
SCHEMBL7504212 0.77 PKM (0.57) PKMMEN1KMT2AHPGDTP53
SCHEMBL7504189 0.76 TGM2 (0.53) PKMMAPTLMNA
SCHEMBL8256552 0.76 HTR1A (0.51) TP53THRB
SCHEMBL7508585 0.76 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1GAA

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 11 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-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-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-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
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 5/4885HSD17B10 1762/4885MEN1 3231/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885HSD17B10 1440/4885MEN1 4239/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885HSD17B10 1440/4885MEN1 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.