SCHEMBL3301619

SCHEMBL3301619

CS(=O)(=O)N1CCN(c2ccc(-n3ccc4cc(N(CC(=O)O)S(=O)(=O)c5cc(Cl)cc(Cl)c5)ccc43)nn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
KEAP1 Q14145 9/20 0.33
NFE2L2 Q16236 9/20 0.33
RORC P51449 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM4 P08173 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3304138 0.91 RORC (0.36) SMN1; SMN2KEAP1NFE2L2RORCALDH1A1
SCHEMBL3303194 0.90 RORC (0.39) SMN1; SMN2KEAP1NFE2L2RORCALDH1A1
SCHEMBL3297363 0.89 HSP90AA1 (0.38) SMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL4430841 0.89 KEAP1 (0.39) KEAP1NFE2L2ALDH1A1KDM4ELMNA
SCHEMBL3297323 0.89 ALDH1A1 (0.34) SMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL3026576 0.88 CHRM4 (0.32) CHRM4KDM4ELMNAHSD17B10
SCHEMBL3303675 0.88 CNR2 (0.34) SMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL3295525 0.87 KEAP1 (0.33) SMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL3300577 0.86 KEAP1 (0.36) SMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL3298006 0.86 HSP90AA1 (0.36) SMN1; SMN2KEAP1NFE2L2ALDH1A1

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
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 SMN1; SMN2 2493/4885KEAP1 1594/4885NFE2L2 4427/4885

“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.