SCHEMBL1653200

SCHEMBL1653200

O=C(O)Cc1csc(-c2cc3cccc(NS(=O)(=O)c4cccs4)c3[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.43
RELA Q04206 1/20 0.43
GLO1 Q04760 1/20 0.43
BRD4 O60885 4/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER3 P43115 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
BCL2 P10415 1/20 0.39
BID P55957 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
BCL2A1 Q16548 1/20 0.39
BCL2L2 Q92843 1/20 0.39
CCR2 P41597 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL1653159 0.90 NFKBIA (0.45) NFKBIARELAGLO1BRD4KDM4E
SCHEMBL13672592 0.88 KMT2A (0.46) ALDH1A1
SCHEMBL13675005 0.86 NFKBIA (0.43) NFKBIARELAGLO1BRD4KDM4E
SCHEMBL1654853 0.86 NFKBIA (0.45) NFKBIARELAGLO1BRD4KDM4E
SCHEMBL1654477 0.82 NFKBIA (0.47) NFKBIARELAGLO1BRD4KDM4E
SCHEMBL1653976 0.81 NFKBIA (0.40) NFKBIARELAGLO1BRD4KDM4E
SCHEMBL13675077 0.81 NFKBIA (0.46) NFKBIARELAGLO1BRD4KDM4E
SCHEMBL1654169 0.81 KDM4E (0.41) KDM4ESMN1; SMN2PTGER3GAAALDH1A1
SCHEMBL1653158 0.80 ALDH1A1 (0.45) NFKBIARELAGLO1BRD4SMN1; SMN2
SCHEMBL18568721 0.80 KDM4E (0.42) KDM4ESMN1; SMN2GAAALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP 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 (1 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-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 NFKBIA 812/4885RELA 700/4885GLO1 72/4885

“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.