SCHEMBL3323895

SCHEMBL3323895

O=C(O)CN(c1ccc2c(ccn2-c2ccc(N[C@@H]3CCOC3)nn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
HTR6 P50406 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MAT2A P31153 1/20 0.33
KIF18A Q8NI77 2/20 0.31
KEAP1 Q14145 3/20 0.30
NFE2L2 Q16236 3/20 0.30
GAA P10253 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
MAPK8 P45983 1/20 0.30

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
SCHEMBL3323899 1.00 MAOB (0.35) MAOBHTR6ALDH1A1MAT2AKIF18A
SCHEMBL3298220 0.96 ALDH1A1 (0.34) MAOBHTR6ALDH1A1KEAP1NFE2L2
SCHEMBL13391049 0.92 ALDH1A1 (0.33) ALDH1A1KEAP1NFE2L2
SCHEMBL13390506 0.90 MAPK1 (0.32) MAOBHTR6KIF18ATSHR
SCHEMBL3297113 0.89 MAOB (0.34) MAOBHTR6ALDH1A1MAT2AKIF18A
SCHEMBL3297110 0.89 MAOB (0.34) MAOBHTR6ALDH1A1MAT2AKIF18A
SCHEMBL13390693 0.86 MAPK1 (0.36) ALDH1A1USP2TSHR
SCHEMBL3299220 0.85 IRAK4 (0.36) ALDH1A1KEAP1NFE2L2USP2TSHR
SCHEMBL10317339 0.84 KEAP1 (0.36) ALDH1A1KEAP1NFE2L2
SCHEMBL3303955 0.84 ALDH1A1 (0.33) ALDH1A1KEAP1NFE2L2USP2TSHR

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 6 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
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 MAOB 1507/4885HTR6 2697/4885ALDH1A1 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.