SCHEMBL6978439

SCHEMBL6978439

COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.77
HTR1A P08908 2/20 0.63
HTR1D P28221 2/20 0.63
HTR1B P28222 2/20 0.63
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR1E P28566 1/20 0.60
HTR1F P30939 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1B P35368 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2B P41595 1/20 0.60
HTR4 Q13639 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL6190119 0.94 HTR6 (0.77) HTR6HTR1AHTR2CHTR7HTR2B
Hydrochloric Acid SCHEMBL6186222 0.93 HTR6 (0.76) HTR6HTR1AHTR2CHTR7HTR2B
SCHEMBL6979349 0.88 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL6973742 0.87 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL6979261 0.87 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL6980079 0.87 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL6976495 0.83 HTR6 (0.92) HTR6HTR1AHTR2CHTR7HTR2B
SCHEMBL6975332 0.83 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL1725962 0.82 HTR6 (0.73) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL6979091 0.82 HTR6 (0.79) HTR6HTR1AHTR2CHTR7HTR2B

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
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP disclosed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN disclosed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 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 (1 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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS HTR6 1537/4885HTR1A 2960/4885HTR1D 2870/4885

“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.