SCHEMBL3163402

SCHEMBL3163402

CCCCCCCCCCCCOc1c(C)cc(Cl)c2c1[S+]([O-])c1ccccc1C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.34
THRA P10827 3/20 0.34
GSTA1 P08263 2/20 0.34
GSTP1 P09211 2/20 0.34
S1PR5 Q9H228 3/20 0.31
GPR17 Q13304 2/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL1614168 0.92 PTPRC (0.32) GSTA1GSTP1PTPN1
SCHEMBL3162888 0.82 PTPN1 (0.39) THRBTHRAS1PR5PTPN1
SCHEMBL1615176 0.81 S1PR5 (0.36) THRBTHRAS1PR5PTPN1
SCHEMBL3159501 0.81 S1PR5 (0.36) THRBTHRAS1PR5PTPN1
SCHEMBL3160065 0.74 DRD2 (0.33)
SCHEMBL133173 0.73 CSNK2A1 (0.35)
SCHEMBL1614823 0.73 MAPT (0.31)
SCHEMBL7259160 0.71 L3MBTL1 (0.32) GSTA1GSTP1PTPN1
SCHEMBL8091818 0.69
SCHEMBL3205466 0.68

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
EP-1538149-B1 Sulfonium salts as photoinitiators HENKEL AG & CO KGAA (DE) 2010-03-17 EP disclosed
EP-2112147-A1 Sulfonium salts as photoinitiators Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
EP-2112146-A1 Sulfonium salt photoinitiators and their use Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
US-7560219-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants HENKEL AG & CO. KGAA (DE) 2009-07-14 US disclosed
US-20070203254-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2007-08-30 US disclosed
US-7230122-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; photocurable adhesive, coating or sealant compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2007-06-12 US disclosed
EP-1538149-A2 Sulfonium salts as photoinitiators National Starch and Chemical Investment Holding Corporation (US) 2005-06-08 EP disclosed
US-20050095531-A1 Benzophenones substituted with one or more diarylsulfonium groups, used in photocurable adhesive, coating or sealant compositions, especially photocurable hot melt adhesives and a varnishs HENKEL AG & CO. KGAA (DE) 2005-05-05 US disclosed
US-20050095528-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; photocurable adhesive, coating or sealant compositions DISPLAY SOURCE ALLIANCE, LLC 2005-05-05 US 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 (1 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-20070203254-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants VCL, DACH1, WDR77 THRB 2278/4885THRA 2530/4885GSTA1 1216/4885

“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.