SCHEMBL3174180

SCHEMBL3174180

O=S(=O)(O)c1ccc(F)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
FABP4 P15090 2/20 0.51
TTR P02766 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 3/20 0.46
TET2 Q6N021 1/20 0.46
CTRB1 P17538 1/20 0.45
COMT P21964 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
LDHA P00338 1/20 0.42
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
MPL P40238 3/20 0.41
ALOX15 P16050 1/20 0.41

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 SCHEMBL27989876 0.98 ALDH1A1 (0.51) ALDH1A1TSHRFABP4TTRGAA
SCHEMBL703189 0.87 TTR (0.61) ALDH1A1TSHRTTRCYP1A2CTRB1
SCHEMBL29409575 0.87 TTR (0.61) ALDH1A1TSHRTTRCYP1A2CTRB1
SCHEMBL7710380 0.84 TTR (0.59) ALDH1A1TSHRTTRCYP1A2CTRB1
Hydrochloric Acid SCHEMBL11157253 0.84 TTR (0.59) ALDH1A1TSHRTTRCYP1A2CTRB1
SCHEMBL1339739 0.79 ALDH1A1 (0.53) ALDH1A1TSHRFABP4GAAHTT
SCHEMBL4880115 0.79 LDHA (0.62) ALDH1A1TSHRFABP4GAAHTT
SCHEMBL4573139 0.79 ALDH1A1 (0.53) ALDH1A1TSHRFABP4GAAHTT
SCHEMBL13185751 0.79 ALDH1A1 (0.53) ALDH1A1TSHRFABP4GAAHTT
SCHEMBL12190260 0.79 GAA (0.56) ALDH1A1TSHRFABP4GAAHTT

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US claimed
CN-101454289-B Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR 2012-07-04 CN claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
CN-101454289-A Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR (ES) 2009-06-10 CN claimed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP claimed
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 EP claimed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US claimed
CN-101272785-A Tetrahydro- beta-carbolin-sulfonamide derivatives as 5-HT6 ligands ESTEVE LABOR DR (ES) 2008-09-24 CN claimed
EP-1919475-A1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO claimed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 WO claimed
US-9541850-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-01-10 US disclosed
US-9541850-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-01-10 US disclosed
US-20150309426-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-10-29 US disclosed
US-20150309426-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-10-29 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-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO 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 (3 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-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands HTR6, HTR5A, HTR1B ALDH1A1 1771/4885TSHR 506/4885FABP4 3193/4885
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 ALDH1A1 401/4885TSHR 2316/4885FABP4 66/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 ALDH1A1 1731/4885TSHR 846/4885FABP4 3744/4885

“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.