Sugi Predict

Sugi Predict / Compounds / SCHEMBL1380036

SCHEMBL1380036

SCHEMBL1380036

CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.56
▸ HTR5A P47898 2/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ NCF1 P14598 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ HTR1D P28221 1/20 0.53
▸ HTR1B P28222 1/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL1380282 0.88 HTR6 (0.56) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL1377664 0.85 HTR6 (0.53) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL1378251 0.84 HTR6 (0.52) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL3655977 0.83 HTR6 (0.53) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL1377836 0.83 HTR6 (0.50) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL1378745 0.81 HTR6 (0.56) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL1374538 0.81 HTR6 (0.50) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL4311875 0.81 HTR6 (0.50) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL1377314 0.81 HTR6 (0.50) HTR6HTR5AHTR2AHTR3EHTR3B
SCHEMBL1383346 0.81 HTR6 (0.55) HTR6HTR5AHTR2AHTR3EHTR3B

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 16 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-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
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 HTR6 1659/4885HTR5A 1802/4885HTR2A 1609/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR5A 1497/4885HTR2A 1235/4885
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 2369/4885HTR5A 2470/4885HTR2A 1425/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR5A 1497/4885HTR2A 1235/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885HTR5A 1802/4885HTR2A 1609/4885

“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.