SCHEMBL3620770

SCHEMBL3620770

O=S(=O)(Nc1cc(N2CCNCC2)c2occc2c1)c1cccc(-c2cccc3ccccc23)c1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.41
PGR P06401 1/20 0.41
GHSR Q92847 1/20 0.37
TYMS P04818 1/20 0.37
GUSB P08236 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL1380082 0.89 HTR6 (0.46) HTR6GHSRTYMSCYP1A2CYP2D6
SCHEMBL4209784 0.85 HTR6 (0.53) HTR6GHSRTYMSCYP1A2CYP2D6
SCHEMBL3624183 0.80 HTR6 (0.48) HTR6PGRGHSRHTR1AHTR1D
Hydrochloric Acid SCHEMBL1379419 0.80 HTR6 (0.47) HTR6PGRGHSRHTR1AHTR1D
SCHEMBL3626769 0.77 HTR6 (0.48) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3622734 0.77 HTR6 (0.55) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1377178 0.76 HTR6 (0.54) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1378277 0.76 LRRK2 (0.39) HTR6CYP1A2CYP2D6HTR1AHTR1D
SCHEMBL3619404 0.76 HTR6 (0.49) HTR6GHSRHTR1AHTR1DHTR1B
SCHEMBL3620765 0.73 HTR6 (0.35) HTR6CYP1A2CYP2D6HTR1AHTR1D

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 HTR6 1659/4885PGR 3366/4885GHSR 234/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885PGR 3185/4885GHSR 321/4885
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 2369/4885PGR 3958/4885GHSR 1702/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885PGR 3185/4885GHSR 321/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885PGR 3366/4885GHSR 234/4885

“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.