SCHEMBL3137545

SCHEMBL3137545

COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PDE4B Q07343 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 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
SCHEMBL47546 0.90 KDM4E (0.38) CNR1CNR2PDE4BPDE4APDE4C
Bromide SCHEMBL3137186 0.88 KDM4E (0.37) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL3144296 0.87 CNR1 (0.34) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL3136143 0.83 KDM4E (0.31) ALDH1A1SMN1; SMN2KDM4EHSD17B10
Perchlorate SCHEMBL3132524 0.83 KDM4E (0.33) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3135900 0.82 CYP2C9 (0.30)
SCHEMBL3128915 0.81 KDM4E (0.31) ALDH1A1MAPK1SMN1; SMN2KDM4ETUBB4A
Trifluoromethanesulfonic Acid SCHEMBL3140872 0.78 ACHE (0.39) SMN1; SMN2KMT2A
SCHEMBL3140907 0.78 HTT (0.41) ALDH1A1MAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL8980412 0.76 ALDH1A1 (0.35) ALDH1A1

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 CNR1 572/4885CNR2 1002/4885PDE4B 4542/4885

“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.