SCHEMBL3144568

SCHEMBL3144568

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.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
P2RX1 P51575 1/20 0.37
BACE1 P56817 2/20 0.37
TRPV6 Q9H1D0 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
NPBWR1 P48145 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
TACR1 P25103 2/20 0.33
GPR3 P46089 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
SCHEMBL3139294 1.00 KIF11 (0.46) KIF11ALDH1A1TSHRP2RX1BACE1
SCHEMBL3244276 0.95 TSHR (0.41) KIF11ALDH1A1TSHRP2RX1NPBWR1
SCHEMBL3136104 0.91 KIF11 (0.37) KIF11ALDH1A1TSHRP2RX1BACE1
SCHEMBL3130125 0.91 KIF11 (0.37) KIF11ALDH1A1TSHRP2RX1BACE1
SCHEMBL3130049 0.90 TDP1 (0.36) KIF11ALDH1A1TSHRP2RX1NPBWR1
SCHEMBL3137155 0.90 TDP1 (0.36) KIF11ALDH1A1TSHRP2RX1NPBWR1
SCHEMBL3139818 0.89 NFE2L2 (0.39) KIF11ALDH1A1TSHRP2RX1GAA
SCHEMBL3134861 0.89 CYP19A1 (0.35) KIF11ALDH1A1TSHRKDM4EGAA
SCHEMBL3134845 0.89 CYP19A1 (0.35) KIF11ALDH1A1TSHRKDM4EGAA
SCHEMBL3130596 0.89 KIF11 (0.37) KIF11ALDH1A1TSHRP2RX1MEN1

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 2 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

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 4608/4885ALDH1A1 139/4885TSHR 1087/4885

“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.