SCHEMBL3139714

SCHEMBL3139714

FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
CNR2 P34972 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ESR1 P03372 1/20 0.32
IDH2 P48735 1/20 0.32
HPGD P15428 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MCL1 Q07820 1/20 0.31
BAD Q92934 1/20 0.31
TACR1 P25103 1/20 0.31
KIF11 P52732 2/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL3244276 0.82 TSHR (0.41) P2RX1CNR2TACR1KIF11
SCHEMBL3140894 0.81 ALDH1A1 (0.33) CYP1A2HPGD
SCHEMBL3140107 0.81 KIF11 (0.33) P2RX1MCL1TACR1KIF11
SCHEMBL6513245 0.80 TSHR (0.41) P2RX1CNR2IDH2ADORA2AADORA1
SCHEMBL3144568 0.78 KIF11 (0.46) P2RX1TACR1KIF11
SCHEMBL3139294 0.78 KIF11 (0.46) P2RX1TACR1KIF11
SCHEMBL3137484 0.77 NR4A1 (0.38) CYP1A2HPGD
SCHEMBL98432 0.77 ALDH1A1 (0.42) CYP1A2CYP1B1HPGD
SCHEMBL29973074 0.77 ALDH1A1 (0.42) CYP1A2CYP1B1HPGD
SCHEMBL3130125 0.76 KIF11 (0.37) P2RX1TACR1KIF11

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 CYP1A1 154/4885CYP1A2 378/4885CYP1B1 224/4885

“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.