SCHEMBL3132846

SCHEMBL3132846

O=S(=O)([O-])c1ccc(C(F)(F)F)cc1.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.43
HSD11B1 P28845 3/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
EEF2K O00418 1/20 0.39
ESR2 Q92731 1/20 0.38
COMT P21964 1/20 0.38
KAT6A Q92794 1/20 0.37
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
AR P10275 1/20 0.37
NQO2 P16083 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.37
PIM1 P11309 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
SCHEMBL2898460 1.00 KIF11 (0.43) KIF11HSD11B1KEAP1NFE2L2EEF2K
SCHEMBL3132680 0.92 ALDH1A1 (0.43) KIF11HSD11B1KEAP1NFE2L2EEF2K
SCHEMBL3139768 0.92 ALDH1A1 (0.43) KIF11HSD11B1KEAP1NFE2L2EEF2K
SCHEMBL503701 0.91 ALDH1A1 (0.45) KIF11HSD11B1KEAP1NFE2L2EEF2K
SCHEMBL3130383 0.87 RORC (0.39) KIF11HSD11B1KEAP1NFE2L2EEF2K
SCHEMBL3140028 0.87 RORC (0.39) KIF11HSD11B1KEAP1NFE2L2EEF2K
SCHEMBL2895606 0.86 ESR1 (0.44) ESR2ESR1TSHR
SCHEMBL3136043 0.85 ALDH1A1 (0.46) KIF11HSD11B1ALDH1A1TSHRCDK7
SCHEMBL3134860 0.85 HSD11B1 (0.42) KIF11HSD11B1EEF2KALDH1A1TSHR
SCHEMBL3134381 0.85 CNR2 (0.41) KIF11HSD11B1ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
US-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2007-04-12 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 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 (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-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid ARSA, HAO2, HAO1 KIF11 4608/4885HSD11B1 718/4885KEAP1 968/4885

“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.