SCHEMBL3626233

SCHEMBL3626233

Cc1cccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.52
RAD52 P43351 1/20 0.49
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
BRD4 O60885 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydrochloric Acid SCHEMBL1381800 0.99 HTR6 (0.51) HTR6RAD52KEAP1NFE2L2HTR1A
SCHEMBL3616769 0.87 KEAP1 (0.64) HTR6KEAP1NFE2L2BRD4MEN1
SCHEMBL3624173 0.86 KEAP1 (0.69) HTR6KEAP1NFE2L2HTR7
Hydrochloric Acid SCHEMBL1378718 0.85 KEAP1 (0.67) HTR6KEAP1NFE2L2HTR7
SCHEMBL1381404 0.85 HTR6 (0.57) HTR6HTR1AHTR7
SCHEMBL1381177 0.84 HTR6 (0.54) HTR6KDM4EMEN1ALDH1A1LMNA
SCHEMBL3623223 0.83 KEAP1 (0.59) HTR6KEAP1NFE2L2BRD4KDM4E
SCHEMBL3614427 0.83 LMNA (0.52) HTR6KEAP1NFE2L2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL3623822 0.82 LMNA (0.51) HTR6KEAP1NFE2L2MEN1ALDH1A1
SCHEMBL3621600 0.82 HTR6 (0.54) HTR6HTR1AHTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US claimed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US claimed
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 claimed
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 HTR6 1659/4885RAD52 4229/4885KEAP1 1645/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885RAD52 4242/4885KEAP1 1144/4885
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 HTR6 2369/4885RAD52 2154/4885KEAP1 309/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885RAD52 4242/4885KEAP1 1144/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885RAD52 4229/4885KEAP1 1645/4885

“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.