SCHEMBL3136018

SCHEMBL3136018

COc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
PKM P14618 1/20 0.39
KAT6A Q92794 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD11B1 P28845 1/20 0.38
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36

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
SCHEMBL3132293 0.88 TP53 (0.39) NPSR1RAB9ANPC1PKMKMT2A
SCHEMBL3139828 0.88 TP53 (0.39) NPSR1RAB9ANPC1PKMKMT2A
SCHEMBL6760271 0.86 KAT6A (0.33) KAT6A
SCHEMBL384538 0.83 CA1 (0.38) PKM
Trifluoromethanesulfonic Acid SCHEMBL3135946 0.82 KCNH2 (0.46) RAB9ANPC1HSD11B1
SCHEMBL3134742 0.82 SMN1; SMN2 (0.36) KAT6AMEN1KMT2ASMN1; SMN2KCNK3
SCHEMBL2895867 0.82 PKM (0.43) NPSR1RAB9ANPC1PKMHTT
SCHEMBL8651804 0.82 KAT6A (0.33) PKMKAT6A
SCHEMBL8643877 0.81 ELANE (0.36) KAT6A
SCHEMBL8649883 0.81 KAT6A (0.33) KAT6AMEN1KMT2A

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 TSHR 1087/4885NPSR1 1224/4885RAB9A 1824/4885

“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.