SCHEMBL3623748

SCHEMBL3623748

COc1ccc(S(=O)(=O)Nc2ccc(N3CCN4CCCC4C3)c3ccccc23)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.59
NFE2L2 Q16236 2/20 0.59
DRD2 P14416 7/20 0.48
ADRA1B P35368 7/20 0.48
ADRA1D P25100 4/20 0.48
ADRA1A P35348 4/20 0.48
HTR1A P08908 3/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
HTR2A P28223 3/20 0.46
DRD3 P35462 3/20 0.46
HTR2B P41595 3/20 0.46
HTR6 P50406 3/20 0.46
HTR2C P28335 2/20 0.46
HTR1E P28566 2/20 0.46
HTR1F P30939 2/20 0.46
HTR7 P34969 2/20 0.46
HTR4 Q13639 2/20 0.46
BRPF1 P55201 1/20 0.45
POLB P06746 2/20 0.43

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
SCHEMBL3619175 0.85 KEAP1 (0.54) KEAP1NFE2L2HTR6SMN1; SMN2GAA
SCHEMBL1377296 0.82 HTR6 (0.54) KEAP1DRD2ADRA1BHTR1AHTR1D
Hydrochloric Acid SCHEMBL6047109 0.81 HTR6 (0.53) KEAP1DRD2ADRA1BHTR1AHTR1D
SCHEMBL3622984 0.81 GAA (0.50) DRD2ADRA1BHTR1AHTR1DHTR1B
SCHEMBL3623978 0.81 KEAP1 (0.62) KEAP1NFE2L2HTR6BRPF1
SCHEMBL3619654 0.81 ALDH1A1 (0.57) SMN1; SMN2GAATDP1
Hydrochloric Acid SCHEMBL6047567 0.80 GAA (0.49) GAACACNA1H
SCHEMBL3626316 0.79 KEAP1 (0.69) KEAP1NFE2L2HTR1AHTR2BHTR6
SCHEMBL4310249 0.71 KMT2A (0.50) DRD2ADRA1BHTR1AHTR1DHTR1B
SCHEMBL3620352 0.71 MAPT (0.66) DRD2ADRA1BHTR1AHTR1DHTR1B

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 597/4885DRD2 2808/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885DRD2 2846/4885
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 24/4885DRD2 2155/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885DRD2 2846/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS KEAP1 1645/4885NFE2L2 597/4885DRD2 2808/4885

“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.