SCHEMBL1653124

SCHEMBL1653124

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 1/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1H3 Q13133 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.30
POLB P06746 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
SCHEMBL1653985 0.91 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2ABCB1HTT
SCHEMBL1653422 0.90 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2ABCB1HTT
SCHEMBL13675256 0.88 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2ABCB1HTT
SCHEMBL9072950 0.88 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2
SCHEMBL1655906 0.88 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2ABCB1HTT
SCHEMBL2668673 0.88 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2ABCB1HTT
SCHEMBL1653389 0.88 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2HTTLMNA
SCHEMBL13675209 0.87 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2ABCB1HTT
SCHEMBL1653116 0.86 GCK (0.39) ALDH1A1HPGDSMN1; SMN2HTTLMNA
SCHEMBL1653259 0.86 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2ABCB1

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 10 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
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 ALDH1A1 372/4885HPGD 726/4885SMN1; SMN2 4353/4885

“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.