SCHEMBL4521603

SCHEMBL4521603

CN(c1cccc2cc(-c3nc(CC(C(=O)O)C(=O)O)cs3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 4/20 0.33
HPGD P15428 2/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H3 Q13133 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGER2 P43116 2/20 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
SCHEMBL1653505 0.91 TSHR (0.40) KDM4EALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL1654169 0.90 KDM4E (0.41) KDM4EALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL1653484 0.89 KDM4E (0.36) KDM4EALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL1654287 0.87 KDM4E (0.39) KDM4EALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL1654198 0.86 KDM4E (0.35) KDM4EALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL13675258 0.85 KDM4E (0.37) KDM4EALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL1653391 0.85 RAB9A (0.32) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL12784632 0.84 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2NPC1LMNA
SCHEMBL1653508 0.81 NR1H3 (0.31) ALDH1A1TSHRRAB9ASMN1; SMN2HPGD
SCHEMBL9073033 0.81 ALDH1A1 (0.34) ALDH1A1TSHRRAB9ASMN1; SMN2LMNA

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 5 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
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
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 KDM4E 1299/4885ALDH1A1 372/4885TSHR 3701/4885

“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.