SCHEMBL1378481

SCHEMBL1378481

COc1cccc(S(=O)(=O)Nc2cc3ccccc3c(N3CCN(C)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
GBA1 P04062 1/20 0.47
ALPL P05186 1/20 0.47
HTR6 P50406 9/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
GLO1 Q04760 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
PGR P06401 1/20 0.44

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
SCHEMBL1381190 0.87 HTR3A (0.51) CYP1A2CYP3A4CYP2D6HTR6HTR1A
SCHEMBL3615298 0.86 MEN1 (0.52) KEAP1NFE2L2CYP1A2CYP3A4CYP2D6
SCHEMBL1378323 0.85 ALDH1A1 (0.49) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1380811 0.84 SCN9A (0.49) GBA1HTR6HTR1AHTR2AHTR2C
SCHEMBL1380690 0.82 GBA1 (0.51) KEAP1NFE2L2CYP1A2CYP3A4CYP2D6
SCHEMBL1379933 0.82 SCN9A (0.47) MAPK1GBA1HTR6HTR1AHTR2A
SCHEMBL1379060 0.81 HTR6 (0.47) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4769222 0.79 MAPT (0.47) KEAP1NFE2L2GBA1HTR6HTR1A
SCHEMBL3623707 0.78 HTR6 (0.46) CYP1A2CYP3A4CYP2D6HTR6HTR7
SCHEMBL1378203 0.78 KDM4E (0.52) CYP1A2CYP3A4CYP2D6ALPLHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 2011-07-20 JP claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US claimed
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 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
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 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 KEAP1 1645/4885NFE2L2 597/4885USP2 2018/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885USP2 2276/4885
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 24/4885USP2 1848/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885USP2 2276/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS KEAP1 1645/4885NFE2L2 597/4885USP2 2018/4885

“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.