SCHEMBL3136143

SCHEMBL3136143

COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.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

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TACR1 P25103 3/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
GAK O14976 1/20 0.31
CTSA P10619 1/20 0.31
DHFR P00374 1/20 0.30
BACE1 P56817 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
ACLY P53396 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
SCHEMBL3137545 0.83 CNR1 (0.32) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3244276 0.83 TSHR (0.41) KDM4EALDH1A1GAATACR1IDO1
SCHEMBL3134963 0.83 RAB9A (0.40) ALDH1A1GAADHFR
SCHEMBL3136188 0.83 RAB9A (0.40) ALDH1A1GAADHFR
SCHEMBL3132670 0.81 NFE2L2 (0.39) ALDH1A1GAASMN1; SMN2TACR1IDO1
SCHEMBL3139818 0.81 NFE2L2 (0.39) ALDH1A1GAASMN1; SMN2TACR1IDO1
SCHEMBL3136015 0.81 NPSR1 (0.41) KDM4EHPGDSMN1; SMN2GAK
SCHEMBL3144296 0.80 CNR1 (0.34) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL47546 0.80 KDM4E (0.38) KDM4EALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL3144568 0.79 KIF11 (0.46) KDM4EALDH1A1GAATACR1IDO1

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 KDM4E 2848/4885ALDH1A1 139/4885GAA 972/4885

“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.