SCHEMBL1655822

SCHEMBL1655822

CN(c1cccc2cc(-c3nccs3)[nH]c12)S(=O)(=O)c1ccsc1COCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
SLC6A9 P48067 1/20 0.32
GLA P06280 1/20 0.32
FFAR1 O14842 1/20 0.31
ABCB1 P08183 1/20 0.31
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DGAT1 O75907 1/20 0.30
GRM4 Q14833 1/20 0.30
KAT6A Q92794 1/20 0.30

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
SCHEMBL1653707 0.86 ABCB1 (0.35) GLAABCB1KDM4EMEN1ALDH1A1
SCHEMBL1654280 0.86 ABCB1 (0.33) SLC6A9GLAABCB1KDM4EMEN1
SCHEMBL1654144 0.85 GLA (0.32) SLC6A9GLAABCB1KDM4EMEN1
SCHEMBL1654042 0.84 ABCB1 (0.37) ABCB1GRM4
SCHEMBL1655902 0.83 ABCB1 (0.34) ABCB1
SCHEMBL18569093 0.83 PTGDR2 (0.33) PTGDR2SLC6A9FFAR1LTA4HDGAT1
SCHEMBL1655967 0.83 ABCB1 (0.35) GLAABCB1KDM4EMEN1ALDH1A1
SCHEMBL1654227 0.83 LMNA (0.37) GLAABCB1KDM4EMEN1ALDH1A1
SCHEMBL4508319 0.83 ABCB1 (0.33) GLAABCB1KDM4EMEN1ALDH1A1
SCHEMBL1653512 0.83 GLA (0.31) GLAABCB1KDM4EMEN1ALDH1A1

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 14 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
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 PTGDR2 3541/4885SLC6A9 862/4885GLA 69/4885

“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.