SCHEMBL3300592

SCHEMBL3300592

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCc4cc([N+](=O)[O-])ccc43)nn2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ROCK1 Q13464 1/20 0.40
GPR119 Q8TDV5 6/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
DRD2 P14416 1/20 0.38
GAA P10253 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3300096 0.85 NR1H2 (0.48) GPR119SCN5ASCN9ASRD5A1NR1H2
SCHEMBL3301708 0.84 MAPT (0.55) MAPTALDH1A1LMNAGPR119GAA
SCHEMBL1701324 0.80 LMNA (0.51) HTR2CMAPTALDH1A1LMNAGPR119
SCHEMBL3305312 0.76 GPR119 (0.37) HTR2CMAPTALDH1A1LMNAROCK1
SCHEMBL3299787 0.76 ROCK1 (0.40) HTR2CMAPTALDH1A1ROCK1GPR119
SCHEMBL3300962 0.75 TRIM24 (0.41) MAPTGPR119KMT2A
SCHEMBL18134025 0.75 MAPT (0.60) MAPTALDH1A1LMNASCN5ASCN9A
SCHEMBL4438782 0.75 ROCK1 (0.38) HTR2CMAPTALDH1A1LMNAROCK1
SCHEMBL3295644 0.75 ALDH1A1 (0.53) MAPTALDH1A1LMNAROCK1GPR119
SCHEMBL3303215 0.75 ALDH1A1 (0.48) HTR2CMAPTALDH1A1LMNAROCK1

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 5 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
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP 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 HTR2C 1731/4885MAPT 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.