SCHEMBL3623707

SCHEMBL3623707

CN1CCN(c2nc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTR3A P46098 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
ALDH1A1 P00352 3/20 0.40
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
SGK1 O00141 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 SCHEMBL1380936 0.99 HTR6 (0.45) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL1381190 0.85 HTR3A (0.51) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL3626281 0.84 HSD11B1 (0.50) HTR6CYP1A2CYP3A4CYP2D6HTR3A
Hydrochloric Acid SCHEMBL1380788 0.83 HSD11B1 (0.49) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL1380961 0.83 PIK3CA (0.48) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL1380690 0.82 GBA1 (0.51) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL1379758 0.82 HTR6 (0.44) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL1383478 0.81 HTR3A (0.44) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL1379060 0.81 HTR6 (0.47) HTR6CYP1A2CYP3A4CYP2D6HTR3A
SCHEMBL1378203 0.80 KDM4E (0.52) HTR6CYP1A2CYP3A4CYP2D6ALDH1A1

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 12 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-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 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 1659/4885CYP1A2 221/4885CYP3A4 1195/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885CYP1A2 109/4885CYP3A4 976/4885
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 2369/4885CYP1A2 49/4885CYP3A4 442/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885CYP1A2 109/4885CYP3A4 976/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885CYP1A2 221/4885CYP3A4 1195/4885

“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.