SCHEMBL3174168

SCHEMBL3174168

CCCCCCCCCCCCOc1cc(C)c(Cl)c2c1[S+]([O-])c1ccccc1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.37
PTPN1 P18031 1/20 0.34
CYSLTR2 Q9NS75 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
THRB P10828 6/20 0.33
TLR8 Q9NR97 1/20 0.33
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL1614823 0.92 MAPT (0.31) MAPT
SCHEMBL3162888 0.90 PTPN1 (0.39) S1PR5PTPN1CYSLTR2CYSLTR1THRB
SCHEMBL3159501 0.84 S1PR5 (0.36) S1PR5PTPN1CYSLTR2CYSLTR1THRB
SCHEMBL1615176 0.84 S1PR5 (0.36) S1PR5PTPN1CYSLTR2CYSLTR1THRB
SCHEMBL3163402 0.81 THRB (0.34) S1PR5PTPN1THRBTHRA
SCHEMBL133173 0.75 CSNK2A1 (0.35) MEN1ADRA2AMAPTKMT2A
SCHEMBL8089987 0.72 DRD2 (0.32)
SCHEMBL1614173 0.71 L3MBTL1 (0.31) MEN1MAPTHTR2BKMT2A
SCHEMBL7051377 0.68 HTR1D (0.36) S1PR5MEN1HTR2BKMT2A
SCHEMBL8857494 0.68 HTR2C (0.35) S1PR5PTPN1MEN1LMNAHTR2B

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 S1PR5 2985/4885PTPN1 4248/4885CYSLTR2 828/4885

“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.