SCHEMBL1653241

SCHEMBL1653241

CCOC(=O)c1cc2cccc(N(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2n1COC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.52
NOD1 Q9Y239 4/20 0.52
AR P10275 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL1653451 0.82 RAB9A (0.38) NOD2NOD1MAPK1MAPTSMN1; SMN2
SCHEMBL2977393 0.80 KMT2A (0.40) NOD2NOD1MAPK1MAPTSMN1; SMN2
SCHEMBL2668842 0.80 KMT2A (0.39) NOD2NOD1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2659440 0.80 KDM4E (0.40) NOD2NOD1SMN1; SMN2ALDH1A1CA9
SCHEMBL1653950 0.79 CCR2 (0.46) NOD2NOD1MAPK1MAPTSMN1; SMN2
SCHEMBL1653089 0.74 TSHR (0.39) NOD2NOD1MAPK1MAPTSMN1; SMN2
SCHEMBL1653965 0.74 NOD2 (0.46) NOD2NOD1MAPK1MAPTSMN1; SMN2
SCHEMBL23045560 0.73 NOD2 (0.51) NOD2NOD1MAPK1MAPTSMN1; SMN2
SCHEMBL29463226 0.73 NOD2 (0.51) NOD2NOD1MAPK1MAPTSMN1; SMN2
SCHEMBL1653438 0.73 NOD2 (0.37) NOD2NOD1MAPK1MAPTSMN1; SMN2

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
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
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 NOD2 3340/4885NOD1 1280/4885AR 2757/4885

“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.