SCHEMBL3294682

SCHEMBL3294682

CC(C)(C)OC(=O)N1CCN(c2ccnc(N3CCc4cc([N+](=O)[O-])ccc43)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ROCK1 Q13464 2/20 0.46
GPR119 Q8TDV5 7/20 0.44
MAP4K4 O95819 1/20 0.43
ACHE P22303 1/20 0.41
CHRNA7 P36544 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL3301708 0.85 MAPT (0.55) LMNAMAPTALDH1A1GPR119MAP4K4
SCHEMBL3295644 0.84 ALDH1A1 (0.53) LMNAMAPTALDH1A1ROCK1GPR119
SCHEMBL3298216 0.80 ALDH1A1 (0.52) LMNAMAPTALDH1A1GPR119MAP4K4
SCHEMBL3303215 0.79 ALDH1A1 (0.48) LMNAMAPTALDH1A1ROCK1GPR119
SCHEMBL29265204 0.78 ALDH1A1 (0.63) LMNAMAPTALDH1A1GPR119MAP4K4
SCHEMBL3298178 0.77 GPR119 (0.44) GPR119MAP4K4ACHECHRNA7
SCHEMBL3301776 0.77 ROCK1 (0.43) LMNAMAPTALDH1A1ROCK1GPR119
SCHEMBL3298589 0.75 ALDH1A1 (0.42) LMNAMAPTALDH1A1ROCK1GPR119
SCHEMBL3016231 0.74 ROCK1 (0.54) LMNAALDH1A1ROCK1
SCHEMBL515580 0.74 GPR119 (0.59) GPR119

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

“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.