SCHEMBL3303675

SCHEMBL3303675

O=C(O)CN(c1ccc2c(ccn2-c2ccc(N3CCS(=O)(=O)CC3)nn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 10/20 0.32
NFE2L2 Q16236 10/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK8 P45983 1/20 0.30
S1PR1 P21453 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
SCHEMBL3297323 0.89 ALDH1A1 (0.34) ALDH1A1KEAP1NFE2L2SMN1; SMN2POLB
SCHEMBL3297363 0.89 HSP90AA1 (0.38) ALDH1A1KEAP1NFE2L2SMN1; SMN2POLB
SCHEMBL4430841 0.89 KEAP1 (0.39) CNR2ALDH1A1KEAP1NFE2L2POLB
SCHEMBL13390759 0.89 PKM (0.32) CNR2
SCHEMBL3295525 0.88 KEAP1 (0.33) ALDH1A1KEAP1NFE2L2SMN1; SMN2POLB
SCHEMBL13218525 0.88 CNR2 (0.35) CNR2
SCHEMBL3303194 0.88 RORC (0.39) ALDH1A1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3301619 0.88 SMN1; SMN2 (0.35) ALDH1A1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3298006 0.86 HSP90AA1 (0.36) ALDH1A1KEAP1NFE2L2SMN1; SMN2POLB
SCHEMBL3301072 0.85 KEAP1 (0.39) ALDH1A1KEAP1NFE2L2SMN1; SMN2L3MBTL1

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 CNR2 4242/4885ALDH1A1 1848/4885KEAP1 1594/4885

“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.