SCHEMBL1653995

SCHEMBL1653995

O=S(=O)(Nc1cccc2cc(C3=NCCO3)[nH]c12)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.46
RELA Q04206 1/20 0.46
GLO1 Q04760 1/20 0.46
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
CCR2 P41597 3/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL1653063 0.81 NFKBIA (0.47) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL1655622 0.78 NFKBIA (0.44) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL18568624 0.78 MMP13 (0.36)
SCHEMBL1653096 0.77 NFKBIA (0.55) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL1654318 0.77 NFKBIA (0.47) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL1653443 0.77 NFKBIA (0.47) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL1653838 0.77 NFKBIA (0.49) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL1653130 0.76 NFKBIA (0.57) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL1653845 0.76 NFKBIA (0.50) NFKBIARELAGLO1ALDH1A1TSHR
SCHEMBL1654816 0.76 NFKBIA (0.47) NFKBIARELAGLO1ALDH1A1TSHR

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
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
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.