SCHEMBL3626316

SCHEMBL3626316

COc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c3ccccc23)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.69
NFE2L2 Q16236 1/20 0.69
HTR6 P50406 19/20 0.64
HTR7 P34969 2/20 0.57
HTR4 Q13639 1/20 0.57
HTR1A P08908 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56

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
SCHEMBL3623978 0.87 KEAP1 (0.62) KEAP1NFE2L2HTR6
SCHEMBL1377079 0.86 KEAP1 (0.67) KEAP1NFE2L2HTR6
SCHEMBL3624173 0.85 KEAP1 (0.69) KEAP1NFE2L2HTR6HTR7HTR4
SCHEMBL6187470 0.85 HTR6 (0.73) HTR6HTR7HTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1378718 0.84 KEAP1 (0.67) KEAP1NFE2L2HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6188200 0.84 HTR6 (0.72) HTR6HTR7HTR1AHTR2CHTR2B
SCHEMBL3621815 0.83 HTR6 (0.57) HTR6HTR7HTR4
SCHEMBL6187324 0.82 HTR6 (0.74) HTR6HTR7HTR4HTR1AHTR2C
SCHEMBL3616769 0.82 KEAP1 (0.64) KEAP1NFE2L2HTR6
SCHEMBL1381404 0.82 HTR6 (0.57) HTR6HTR7HTR1AHTR2CHTR2B

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 597/4885HTR6 1659/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885HTR6 1213/4885
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 24/4885HTR6 2369/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885NFE2L2 406/4885HTR6 1213/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS KEAP1 1645/4885NFE2L2 597/4885HTR6 1659/4885

“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.