SCHEMBL1653971

SCHEMBL1653971

CN(c1cccc2c(Cl)c(-c3nccs3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.38
NPC1 O15118 1/20 0.35
GRM4 Q14833 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
CNR1 P21554 1/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 1/20 0.32
HTR6 P50406 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL2660534 0.82 NR1H3 (0.36) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1653240 0.78 ALDH1A1 (0.35) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1654294 0.77 ABCB1 (0.37) NR1H3NPC1GRM4ALDH1A1SMN1; SMN2
SCHEMBL1654067 0.77 NPC1 (0.37) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3499346 0.68 NPC1 (0.34) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1655708 0.68 BRAF (0.43) ALDH1A1LMNAHTTTDP1
SCHEMBL14206108 0.67 NR1H3 (0.38) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL13326497 0.67 ALDH1A1 (0.40) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2661521 0.67 NR1H3 (0.39) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL13348610 0.66 ALDH1A1 (0.41) NR1H3NPC1ALDH1A1SMN1; SMN2HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H3 2868/4885NPC1 1954/4885GRM4 1198/4885

“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.