SCHEMBL3298216

SCHEMBL3298216

CC(C)(C)OC(=O)N1CCN(c2ccnc(-n3ccc4cc([N+](=O)[O-])ccc43)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
GPR119 Q8TDV5 2/20 0.42
ACHE P22303 2/20 0.42
MAP4K4 O95819 1/20 0.42
MET P08581 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
KCNH2 Q12809 1/20 0.40
CHRNA7 P36544 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
CDC7 O00311 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3300108 0.86 MAPT (0.54) ALDH1A1LMNAMAPTGPR119MAP4K4
SCHEMBL3300901 0.85 MAPT (0.55) ALDH1A1LMNAMAPTGPR119MAP4K4
SCHEMBL3297305 0.84 ALDH1A1 (0.53) ALDH1A1LMNAMAPTGPR119MAP4K4
SCHEMBL3294682 0.80 LMNA (0.51) ALDH1A1LMNAMAPTGPR119ACHE
SCHEMBL3298829 0.80 MAPT (0.48) ALDH1A1LMNAMAPTGPR119MET
SCHEMBL3304311 0.79 LMNA (0.48) ALDH1A1LMNAMAPTGPR119MET
SCHEMBL29265204 0.79 ALDH1A1 (0.63) ALDH1A1LMNAMAPTGPR119MAP4K4
SCHEMBL3301345 0.77 STS (0.43) GPR119ACHEMAP4K4CHRNA7SUV39H2
SCHEMBL13391040 0.75 CDC7 (0.35) ALDH1A1LMNAMAPTCDC7MEN1
SCHEMBL594287 0.74 MAPT (0.68) ALDH1A1LMNAMAPTGPR119MAP4K4

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 ALDH1A1 1848/4885LMNA 1244/4885MAPT 947/4885

“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.