SCHEMBL3136649

SCHEMBL3136649

CC(C)(C)c1ccc(-c2cccc(S)c2-c2ccc(C(C)(C)C)cc2)cc1.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
NR1H4 Q96RI1 3/20 0.33
GPR84 Q9NQS5 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3127195 0.90 MAPT (0.36) HDAC6AKR1C3AKR1C2PGAM1TP53
SCHEMBL3135501 0.86 PTGS2 (0.42) HDAC11HDAC8HDAC6ALDH1A1DAPK1
SCHEMBL3136615 0.86 PTGS2 (0.39) HSD11B1PGAM1DAPK1
SCHEMBL8083698 0.85 PPARG (0.34)
Trifluoromethanesulfonic Acid SCHEMBL3136711 0.85 PTPN1 (0.36) AKR1C3AKR1C2NR1H4GPR84HSD11B1
SCHEMBL3139800 0.85 DAPK1 (0.37) NPC1RAB9ADAPK1PTPN1
SCHEMBL3139931 0.84 PTGS2 (0.36) PGAM1DAPK1TP53
SCHEMBL3134809 0.83 MMP2 (0.40) NR1H4HSD11B1ALDH1A1PGAM1TP53
SCHEMBL3132308 0.83 HDAC4 (0.41) HDAC8NPC1ALDH1A1RAB9ATP53
SCHEMBL244778 0.81 KIF11 (0.38) AKR1C3AKR1C2NR1H4GPR84NPC1

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 HDAC11 1516/4885HDAC8 2339/4885HDAC6 2837/4885

“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.