SCHEMBL1110409

SCHEMBL1110409

Cc1nc(-c2ccc3c(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc3c2)no1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 13/20 0.42
NFE2L2 Q16236 13/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
MMP12 P39900 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL12115652 0.88 HPGD (0.35) KEAP1NFE2L2L3MBTL1MMP12CA12
SCHEMBL1754067 0.87 L3MBTL1 (0.37) L3MBTL1MMP12CA12CA1CA2
SCHEMBL1110614 0.86 KEAP1 (0.49) KEAP1NFE2L2
SCHEMBL1110237 0.83 KEAP1 (0.41) KEAP1NFE2L2CA12CA1CA2
SCHEMBL1321024 0.83 KEAP1 (0.41) KEAP1NFE2L2CA12CA1CA2
SCHEMBL1110377 0.82 KEAP1 (0.40) KEAP1NFE2L2
SCHEMBL2055370 0.82 L3MBTL1 (0.35) L3MBTL1MMP12CA12CA1CA2
SCHEMBL1110202 0.82 MMP12 (0.37) L3MBTL1MMP12CA12CA1CA2
SCHEMBL3063234 0.79 L3MBTL1 (0.35) L3MBTL1MMP12CA12CA1CA2
SCHEMBL1110275 0.78 KEAP1 (0.63) KEAP1NFE2L2

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
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 KEAP1 1011/4885NFE2L2 441/4885L3MBTL1 3888/4885

“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.