SCHEMBL3616769

SCHEMBL3616769

Cc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.64
NFE2L2 Q16236 4/20 0.64
EP300 Q09472 1/20 0.56
KAT2B Q92831 1/20 0.56
KAT8 Q9H7Z6 1/20 0.56
BRD4 O60885 2/20 0.54
HTR6 P50406 8/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SQSTM1 Q13501 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3623223 0.96 KEAP1 (0.59) KEAP1NFE2L2EP300KAT2BKAT8
SCHEMBL1380665 0.88 HTR6 (0.52) KEAP1NFE2L2EP300HTR6
SCHEMBL3626154 0.88 HTR6 (0.55) KEAP1NFE2L2HTR6SQSTM1
SCHEMBL3623176 0.88 KEAP1 (0.64) KEAP1NFE2L2BRD4HTR6MEN1
SCHEMBL3622053 0.88 HKDC1 (0.56) KEAP1NFE2L2BRD4HTR6KMT2A
SCHEMBL1377079 0.87 KEAP1 (0.67) KEAP1NFE2L2HTR6SMN1; SMN2SQSTM1
SCHEMBL3626233 0.87 HTR6 (0.52) KEAP1NFE2L2BRD4HTR6MEN1
Hydrochloric Acid SCHEMBL1377991 0.87 HKDC1 (0.55) KEAP1NFE2L2BRD4HTR6KMT2A
Hydrochloric Acid SCHEMBL1376917 0.87 HTR6 (0.54) KEAP1NFE2L2HTR6SQSTM1
Hydrochloric Acid SCHEMBL1379130 0.87 KEAP1 (0.63) KEAP1NFE2L2BRD4HTR6MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 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 (5 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-20070066599-A1 New compounds SULT2A1, GPR119, STS KEAP1 1645/4885NFE2L2 597/4885EP300 1401/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885EP300 1372/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 KEAP1 309/4885NFE2L2 24/4885EP300 1437/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885EP300 1372/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS KEAP1 1645/4885NFE2L2 597/4885EP300 1401/4885

“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.