SCHEMBL2226181

SCHEMBL2226181

Cc1c(S(=O)(=O)O)sc2ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
AKR1B1 P15121 1/20 0.55
PFKFB3 Q16875 7/20 0.55
CMA1 P23946 7/20 0.55
PFKFB4 Q16877 7/20 0.55
ROCK1 Q13464 1/20 0.47
MAPT P10636 1/20 0.46

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 SCHEMBL6712744 0.98 NPSR1 (0.59) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL4658351 0.87 NPSR1 (0.47) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL337593 0.85 NPSR1 (0.62) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL1548591 0.85 NPSR1 (0.62) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL13696908 0.85 NPSR1 (0.62) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL3680145 0.81 NPSR1 (0.69) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL3956129 0.81 NPSR1 (0.45) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL3690124 0.81 L3MBTL1 (0.45) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL787942 0.81 CMA1 (0.51) NPSR1L3MBTL1AKR1B1PFKFB3CMA1
SCHEMBL3946161 0.81 PFKFB3 (0.53) NPSR1L3MBTL1AKR1B1PFKFB3CMA1

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 251 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
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP claimed
US-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US claimed
EP-2149573-A1 Substituted indole sulfonamide compounds their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
EP-2114929-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
US-7582673-B2 Benzo[b]thiophene-2-sulfonic acid [2-(2-chloro-5-trifluoromethylbenzenesulfonylamino)phenyl] amide; agonists of GalR1; useful in treating neuropathic pain or cancer HIGH POINT PHARMACEUTICALS, LLC (US) 2009-09-01 US 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
EP-1248607-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-16 EP claimed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US claimed
US-6380199-B1 TREATMENT OF ATTENTION DEFICIT HYPERACTIVITY DISORDER SMITHKLINE BEECHAN P.L.C. (GB) 2002-04-30 US claimed
WO-2001045694-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO claimed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US claimed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 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
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS HTR6, HTR2A, HTR2C NPSR1 25/4885L3MBTL1 3601/4885AKR1B1 2348/4885
US-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 NPSR1 88/4885L3MBTL1 2836/4885AKR1B1 2619/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 NPSR1 156/4885L3MBTL1 4806/4885AKR1B1 1735/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS NPSR1 26/4885L3MBTL1 4613/4885AKR1B1 509/4885

“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.