SCHEMBL1654174

SCHEMBL1654174

O=S(=O)(c1cccs1)N(CC(F)(F)F)c1cccc2cc(-c3nccs3)[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
NFKBIA P25963 1/20 0.30
RELA Q04206 1/20 0.30
GLO1 Q04760 1/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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 0.86 TDP1 (0.33) ALDH1A1NFKBIARELAGLO1TSHR
SCHEMBL1654802 0.86 TSHR (0.37) ALDH1A1HPGDSMN1; SMN2NFKBIARELA
SCHEMBL1654443 0.85 TSHR (0.37) ALDH1A1TSHRLMNAGAA
SCHEMBL1654088 0.84 TSHR (0.34) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL1654294 0.83 ABCB1 (0.37) NR1H3ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1654791 0.81 KMT2A (0.41) ALDH1A1TSHRLMNAGAA
SCHEMBL1653228 0.80 CASR (0.38) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL18568916 0.77 METAP1 (0.30)
SCHEMBL3499206 0.73 MAPT (0.33) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL1653883 0.73 TSHR (0.33) ALDH1A1HPGDSMN1; SMN2NPC1TSHR

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
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
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 NR1H3 2868/4885ALDH1A1 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.