SCHEMBL3304066

SCHEMBL3304066

O=C(O)CN(c1ccc2c(ccn2-c2ccc(N3CCNC(=O)C3)nn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KEAP1 Q14145 11/20 0.32
NFE2L2 Q16236 11/20 0.32
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3298154 0.92 HSP90AA1 (0.34) ALDH1A1HSP90AA1HSP90AB1KEAP1NFE2L2
SCHEMBL13390248 0.90 PKM (0.33) HSP90AA1HSP90AB1TP53FGFR3KDR
SCHEMBL3297363 0.90 HSP90AA1 (0.38) ALDH1A1HSP90AA1HSP90AB1KEAP1NFE2L2
SCHEMBL3296900 0.88 ALDH1A1 (0.33) ALDH1A1HSP90AA1HSP90AB1KEAP1NFE2L2
SCHEMBL3298006 0.87 HSP90AA1 (0.36) ALDH1A1HSP90AA1HSP90AB1KEAP1NFE2L2
SCHEMBL3304326 0.86 ALDH1A1 (0.32) ALDH1A1HSP90AA1HSP90AB1KEAP1NFE2L2
SCHEMBL4430841 0.85 KEAP1 (0.39) ALDH1A1KEAP1NFE2L2POLB
SCHEMBL3297323 0.85 ALDH1A1 (0.34) ALDH1A1KEAP1NFE2L2POLBHTT
SCHEMBL3303675 0.84 CNR2 (0.34) ALDH1A1KEAP1NFE2L2POLBHTT
SCHEMBL3295525 0.83 KEAP1 (0.33) ALDH1A1KEAP1NFE2L2POLBHTT

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 ALDH1A1 1848/4885HSP90AA1 2781/4885HSP90AB1 2930/4885

“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.