SCHEMBL3136259

SCHEMBL3136259

Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.F[B-](F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
PSMB5 P28074 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ACHE P22303 2/20 0.32
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
METAP2 P50579 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL424812 0.92 CYP1A2 (0.40) CYP1A2CYP2A6PSMB5FFAR4ACHE
Bromide SCHEMBL3144004 0.90 CYP1A2 (0.39) CYP1A2CYP2A6PSMB5FFAR4ACHE
Hydrochloric Acid SCHEMBL6764989 0.90 CYP1A2 (0.39) CYP1A2CYP2A6PSMB5FFAR4ACHE
SCHEMBL3183538 0.88 CYP1A2 (0.40) CYP1A2CYP2A6PSMB5FFAR4ACHE
SCHEMBL3126244 0.85 CYP1A2 (0.33) CYP1A2CYP2A6PSMB5FFAR4ACHE
Perchlorate SCHEMBL3132324 0.85 CA12 (0.36) CYP1A2CYP2A6PSMB5FFAR4ACHE
SCHEMBL11903936 0.84 ACHE (0.44) CYP1A2CYP2A6PSMB5FFAR4ACHE
SCHEMBL3139549 0.83 CYP1A2 (0.30) CYP1A2CYP2A6
SCHEMBL5692909 0.82 RAPGEF4 (0.33) CYP1A2CYP2A6FFAR4TSHRSLC6A2
SCHEMBL3139354 0.81 CYP1A2 (0.33) CYP1A2CYP2A6FFAR4ACHELMNA

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 CYP1A2 378/4885CYP2A6 515/4885PSMB5 2010/4885

“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.