SCHEMBL3063018

SCHEMBL3063018

Cc1ccc2sc(S(=O)(=O)O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
CYP2A6 P11509 2/20 0.50
CA2 P00918 9/20 0.47
FBP1 P09467 1/20 0.47
PFKFB4 Q16877 1/20 0.42
F10 P00742 1/20 0.41
KIT P10721 1/20 0.40
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACP1 P24666 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8040025 0.86 HDAC3 (0.50) AKR1B1CYP2A6CA2GAAHSD17B10
SCHEMBL787824 0.82 AKR1B1 (0.52) AKR1B1CYP2A6CA2FBP1PFKFB4
SCHEMBL2088019 0.82 CA2 (0.65) AKR1B1CYP2A6CA2
SCHEMBL8231606 0.81 FBP1 (0.53) AKR1B1CYP2A6CA2FBP1PFKFB4
SCHEMBL3483777 0.79 FBP1 (0.60) AKR1B1CYP2A6CA2FBP1PFKFB4
SCHEMBL3680756 0.79 CA2 (0.47) CA2F10
SCHEMBL329450 0.76 CA2 (0.67) AKR1B1CYP2A6CA2
Hydrochloric Acid SCHEMBL27538000 0.74 CA2 (0.65) AKR1B1CYP2A6CA2
SCHEMBL12404107 0.73 SMN1; SMN2 (0.50) CA2GAAACP1KMT2ACYP1A2
SCHEMBL9350086 0.73 AKR1B1 (0.45) AKR1B1CYP2A6CA2FBP1PFKFB4

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 31 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
US-7863289-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-04 US claimed
EP-2097414-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2009-09-09 EP claimed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 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
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 US claimed
WO-2008079903-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO claimed
WO-2008079906-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO 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-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 WO claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-7863289-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-04 US disclosed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 WO disclosed
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 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-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AKR1B1 3322/4885CYP2A6 4605/4885CA2 3958/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF AKR1B1 2415/4885CYP2A6 3157/4885CA2 881/4885
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands HTR6, HTR5A, HTR1B AKR1B1 1742/4885CYP2A6 77/4885CA2 956/4885

“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.