SCHEMBL787942

SCHEMBL787942

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 7/20 0.51
PFKFB4 Q16877 3/20 0.46
GHSR Q92847 1/20 0.41
HTR2A P28223 6/20 0.41
HTR7 P34969 6/20 0.41
DRD2 P14416 5/20 0.41
HTR6 P50406 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PFKFB3 Q16875 2/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL1743697 0.85 CMA1 (0.49) CMA1PFKFB4GHSRHTR2AHTR7
SCHEMBL788282 0.84 CMA1 (0.48) CMA1PFKFB4GHSRHTR2AHTR7
SCHEMBL2226181 0.81 NPSR1 (0.60) CMA1PFKFB4NPSR1L3MBTL1PFKFB3
SCHEMBL3946161 0.81 PFKFB3 (0.53) CMA1PFKFB4NPSR1L3MBTL1PFKFB3
SCHEMBL3684890 0.80 MEN1 (0.43) CMA1PFKFB4NPSR1L3MBTL1PFKFB3
Hydrochloric Acid SCHEMBL6712744 0.79 NPSR1 (0.59) CMA1PFKFB4NPSR1L3MBTL1PFKFB3
SCHEMBL3687952 0.79 MEN1 (0.43) CMA1PFKFB4NPSR1L3MBTL1PFKFB3
SCHEMBL787895 0.78 PFKFB3 (0.57) CMA1PFKFB4NPSR1L3MBTL1PFKFB3
SCHEMBL806148 0.78 L3MBTL1 (0.47) CMA1PFKFB4NPSR1L3MBTL1PFKFB3
SCHEMBL4442798 0.78 CMA1 (0.39) CMA1PFKFB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP claimed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 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
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 EP claimed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO claimed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US 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
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
EP-1325920-A1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD. (JP) 2003-07-09 EP claimed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed
EP-1325920-A1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD. (JP) 2003-07-09 EP 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-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 CMA1 262/4885PFKFB4 3342/4885GHSR 181/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 CMA1 659/4885PFKFB4 3068/4885GHSR 1192/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG CMA1 4529/4885PFKFB4 469/4885GHSR 283/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 CMA1 262/4885PFKFB4 3342/4885GHSR 181/4885
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 CMA1 1/4885PFKFB4 2399/4885GHSR 581/4885

“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.