SCHEMBL3136559

SCHEMBL3136559

Clc1ccc([S+](c2ccccc2)c2ccc(Cl)cc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2A6 P11509 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SCN2A Q99250 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL3134254 1.00 CYP1A2 (0.44) CYP1A2TSHRLMNAKDM4EGAA
SCHEMBL1535668 0.87 TSHR (0.53) CYP1A2TSHRLMNAKDM4EGAA
SCHEMBL92023 0.87 TSHR (0.53) CYP1A2TSHRLMNAKDM4EGAA
SCHEMBL8980412 0.87 ALDH1A1 (0.35)
Bromide SCHEMBL3129122 0.84 TSHR (0.50) CYP1A2TSHRLMNAKDM4EGAA
Iodide SCHEMBL6930682 0.84 TSHR (0.50) CYP1A2TSHRLMNAKDM4EGAA
Bromide SCHEMBL3139794 0.84 TSHR (0.50) CYP1A2TSHRLMNAKDM4EGAA
SCHEMBL3141304 0.83 CYP1A2 (0.48) CYP1A2TSHRLMNAKDM4EGAA
SCHEMBL3143548 0.83 CYP1A2 (0.48) CYP1A2TSHRLMNAKDM4EGAA
SCHEMBL20841978 0.82 CYP1A2 (0.57) CYP1A2TSHRLMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 378/4885TSHR 1087/4885LMNA 4863/4885

“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.