SCHEMBL1655439

SCHEMBL1655439

COCn1c(-c2nccs2)cc2cccc(NS(=O)(=O)c3cccs3)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.48
RELA Q04206 1/20 0.48
GLO1 Q04760 1/20 0.48
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 8/20 0.43
MMP2 P08253 1/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL13222009 0.83 ALDH1A1 (0.49) NFKBIARELAGLO1ALDH1A1TP53
SCHEMBL1653866 0.82 ALDH1A1 (0.43) NFKBIARELAGLO1MAPTPOLB
SCHEMBL1654847 0.81 TP53 (0.48) NFKBIARELAGLO1MAPTPOLB
SCHEMBL18568604 0.81 NTRK1 (0.34)
SCHEMBL13348494 0.81 ALDH1A1 (0.46) NFKBIARELAGLO1ALDH1A1TP53
SCHEMBL2659384 0.80 ALDH1A1 (0.48) NFKBIARELAGLO1MAPTALDH1A1
SCHEMBL13674992 0.79 TSHR (0.36) MAPTPOLBALDH1A1TSHRLMNA
SCHEMBL1655629 0.79 ALDH1A1 (0.47) NFKBIARELAGLO1MAPTALDH1A1
SCHEMBL18568605 0.79 NTRK1 (0.36)
SCHEMBL12784592 0.77 TSHR (0.35) ALDH1A1TSHRLMNANPSR1KMT2A

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
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
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.