SCHEMBL1110366

SCHEMBL1110366

COc1ccc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 3/20 0.52
PGR P06401 3/20 0.51
ACLY P53396 1/20 0.49
SQSTM1 Q13501 1/20 0.49
GLO1 Q04760 2/20 0.48
SLC40A1 Q9NP59 2/20 0.48
LMNA P02545 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1319104 0.81 RECQL (0.69) KEAP1ACLYSLC40A1LMNARECQL
SCHEMBL2055426 0.78 ACLY (0.58) KEAP1NFE2L2ACLYSQSTM1SLC40A1
SCHEMBL18434691 0.76 KEAP1 (0.78) KEAP1NFE2L2SQSTM1GLO1SLC40A1
SCHEMBL29782080 0.76 KEAP1 (0.78) KEAP1NFE2L2SQSTM1GLO1SLC40A1
SCHEMBL13905723 0.75 RECQL (0.60) KEAP1NFE2L2ACLYSLC40A1LMNA
SCHEMBL2055417 0.75 RECQL (0.60) KEAP1NFE2L2ACLYSLC40A1LMNA
SCHEMBL1110190 0.75 SLC40A1 (0.77) GLO1SLC40A1LMNAMEN1KMT2A
SCHEMBL8234422 0.73 CYP1A2 (0.50) MEN1KMT2A
SCHEMBL1110240 0.73 LMNA (0.48) KEAP1NFE2L2SQSTM1LMNAMEN1
SCHEMBL1321127 0.73 EDNRB (0.45) ACLYSLC40A1RECQL

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 441/4885PGR 2120/4885

“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.