SCHEMBL1654802

SCHEMBL1654802

CCCN(c1cccc2cc(-c3nccs3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OXTR P30559 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NFKBIA P25963 1/20 0.31
RELA Q04206 1/20 0.31
GLO1 Q04760 1/20 0.31
SREBF2 Q12772 1/20 0.31
ABCB1 P08183 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ESR1 P03372 1/20 0.30
SQLE Q14534 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
SCHEMBL1654136 0.91 TDP1 (0.33) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL1654088 0.90 TSHR (0.34) TSHRALDH1A1HPGDLMNAGAA
SCHEMBL1654294 0.86 ABCB1 (0.37) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL1654174 0.86 NR1H3 (0.32) TSHRALDH1A1HPGDLMNAGAA
SCHEMBL1654443 0.86 TSHR (0.37) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL1654791 0.85 KMT2A (0.41) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL1653228 0.84 CASR (0.38) TSHRALDH1A1HPGDLMNAGAA
SCHEMBL3499206 0.78 MAPT (0.33) TSHRALDH1A1HPGDMAPTLMNA
SCHEMBL1653883 0.77 TSHR (0.33) TSHRALDH1A1HPGDMAPTLMNA
SCHEMBL18568983 0.77 METAP1 (0.31)

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-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 TSHR 3701/4885ALDH1A1 372/4885HPGD 726/4885

“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.