SCHEMBL1653159

SCHEMBL1653159

O=S(=O)(Nc1cccc2cc(-c3nc(CO)cs3)[nH]c12)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.45
RELA Q04206 1/20 0.45
GLO1 Q04760 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 6/20 0.43
BRD4 O60885 3/20 0.42
CCR2 P41597 2/20 0.40
NPC1 O15118 1/20 0.40
MMP2 P08253 1/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
ESR1 P03372 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1653200 0.90 NFKBIA (0.43) NFKBIARELAGLO1KDM4EALDH1A1
SCHEMBL13675005 0.89 NFKBIA (0.43) NFKBIARELAGLO1KDM4EALDH1A1
SCHEMBL13672592 0.85 KMT2A (0.46) ALDH1A1NPC1TSHRMEN1KMT2A
SCHEMBL1654477 0.85 NFKBIA (0.47) NFKBIARELAGLO1KDM4EALDH1A1
SCHEMBL1654853 0.84 NFKBIA (0.45) NFKBIARELAGLO1KDM4EALDH1A1
SCHEMBL13675077 0.83 NFKBIA (0.46) NFKBIARELAGLO1KDM4EALDH1A1
SCHEMBL1653663 0.83 NFKBIA (0.46) NFKBIARELAGLO1KDM4EALDH1A1
SCHEMBL1653158 0.81 ALDH1A1 (0.45) NFKBIARELAGLO1ALDH1A1BRD4
SCHEMBL1653096 0.81 NFKBIA (0.55) NFKBIARELAGLO1KDM4EALDH1A1
SCHEMBL1653976 0.80 NFKBIA (0.40) NFKBIARELAGLO1KDM4EALDH1A1

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 13 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-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
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP 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.