SCHEMBL3130596

SCHEMBL3130596

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.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 2/20 0.36
TACR1 P25103 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX1 P51575 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
TSHR P16473 1/20 0.34
P4HB P07237 1/20 0.33
MMP3 P08254 1/20 0.33
BCL2L1 Q07817 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX7 Q99572 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
SCHEMBL3244276 0.91 TSHR (0.41) KIF11TACR1ALDH1A1MEN1MAPT
SCHEMBL3144568 0.89 KIF11 (0.46) KIF11TACR1ALDH1A1MEN1MAPT
SCHEMBL3139294 0.89 KIF11 (0.46) KIF11TACR1ALDH1A1MEN1MAPT
SCHEMBL3130049 0.86 TDP1 (0.36) KIF11TACR1ALDH1A1P2RX1TSHR
SCHEMBL3137155 0.86 TDP1 (0.36) KIF11TACR1ALDH1A1P2RX1TSHR
SCHEMBL3134861 0.85 CYP19A1 (0.35) KIF11ALDH1A1MAPTTSHR
SCHEMBL3132670 0.85 NFE2L2 (0.39) KIF11TACR1ALDH1A1MAPTP2RX1
SCHEMBL3139818 0.85 NFE2L2 (0.39) KIF11TACR1ALDH1A1MAPTP2RX1
SCHEMBL3134845 0.85 CYP19A1 (0.35) KIF11ALDH1A1MAPTTSHR
SCHEMBL6513245 0.84 TSHR (0.41) KIF11ALDH1A1MEN1MAPTKMT2A

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 KIF11 4608/4885ESR1 4560/4885ESR2 3998/4885

“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.