SCHEMBL1653299

SCHEMBL1653299

CN(c1cccc2cc(-c3ncc(CCC(=O)NS(C)(=O)=O)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPT P10636 4/20 0.34
PTGER3 P43115 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
NR4A2 P43354 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.32

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
SCHEMBL13675006 0.91 MAPT (0.34) GCKMAPTHTTLMNANPSR1
SCHEMBL1653836 0.91 MAPT (0.34) GCKMAPTHTTLMNANPSR1
SCHEMBL1653116 0.90 GCK (0.39) GCKMAPTHTTLMNANPSR1
SCHEMBL1653284 0.89 GCK (0.34) GCKMAPTHTTLMNANPSR1
SCHEMBL18568898 0.86 GCK (0.36) GCKMTNR1AMTNR1BNR4A2CYP4F2
SCHEMBL1653485 0.86 ALDH1A1 (0.39) GCKMAPTHTTLMNANPSR1
SCHEMBL1653422 0.85 ALDH1A1 (0.35) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL1653389 0.84 ALDH1A1 (0.34) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL1653124 0.84 ALDH1A1 (0.35) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL1653985 0.84 ALDH1A1 (0.36) MAPTHTTLMNANPSR1ALDH1A1

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 9 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

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 GCK 2/4885MTNR1A 3185/4885MTNR1B 2320/4885

“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.