SCHEMBL3301487

SCHEMBL3301487

CCc1cc2[nH]ccc2cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
PDK1 Q15118 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
ALOX5 P09917 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SNCA P37840 1/20 0.35
MAOA P21397 3/20 0.35
NPBWR1 P48145 1/20 0.35
CFTR P13569 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL396517 0.94 GAA (0.44) GAAPDK1GPR84GRIN2DGRIN3B
SCHEMBL2985420 0.80 TSHR (0.43) GAAGPR84
SCHEMBL10864942 0.79 TSHR (0.42) GAAGPR84
SCHEMBL10289632 0.79 GPR84 (0.48) GAAGPR84GRIN2DGRIN3BGRIN1
SCHEMBL12697213 0.77 CYP2A6 (0.38) GAAGPR84GRIN2DGRIN3BGRIN1
SCHEMBL1746108 0.77 TSHR (0.43) GAAGPR84GRIN2DGRIN3BGRIN1
SCHEMBL15712305 0.77 GPR84 (0.58) GPR84GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8647929 0.77 CSNK2A1 (0.51) GPR84CSNK2A1
SCHEMBL12658952 0.74 SNCA (0.50) GAAPDK1POLBHTTSNCA
SCHEMBL12363748 0.74 CASP6 (0.47) PDK1POLBHTTSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 GAA 67/4885PDK1 340/4885GPR84 1528/4885

“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.