SCHEMBL4428353

SCHEMBL4428353

CN(C)CCNC(=O)c1ccc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
EGLN1 Q9GZT9 4/20 0.36
ROCK1 Q13464 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
FYN P06241 1/20 0.34
PTK2 Q05397 2/20 0.34
HTR2C P28335 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
POLB P06746 2/20 0.33
CAMK2D Q13557 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CA2 P00918 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL13390197 0.91 MAOB (0.35) MAOBEGLN1ROCK1KMT2AMEN1
SCHEMBL4432165 0.90 ROCK1 (0.39) MAOBROCK1KMT2AMEN1FYN
Hydrochloric Acid SCHEMBL3304047 0.89 ROCK1 (0.38) MAOBROCK1KMT2AMEN1FYN
SCHEMBL4439401 0.86 PTK2 (0.44) ROCK1KMT2AMEN1PTK2HTR2C
SCHEMBL3298352 0.85 IRAK4 (0.36) MAOBEGLN1ROCK1KMT2AMEN1
SCHEMBL3295567 0.85 TMEM97 (0.33) IRAK4
Hydrochloric Acid SCHEMBL3300119 0.84 KEAP1 (0.34) IRAK4
SCHEMBL10317260 0.83 KEAP1 (0.33)
SCHEMBL4430338 0.83 KEAP1 (0.43) SMN1; SMN2
SCHEMBL3302886 0.82 KEAP1 (0.38) SMN1; SMN2

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
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
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 1507/4885EGLN1 3092/4885ROCK1 712/4885

“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.