SCHEMBL3129105

SCHEMBL3129105

COc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDH2 P48735 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL3143266 0.88 AHR (0.45) L3MBTL1RAB9AIDH2PPARGPPARD
SCHEMBL3129717 0.88 AHR (0.45) L3MBTL1RAB9AIDH2PPARGPPARD
Trifluoromethanesulfonic Acid SCHEMBL3135946 0.85 KCNH2 (0.46) NPC1RAB9APGRPTGS2
SCHEMBL3141168 0.84 HTT (0.44) NPSR1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL503701 0.84 ALDH1A1 (0.45) MAPTARMEN1KMT2A
SCHEMBL3141431 0.83 FFAR1 (0.42) NPSR1MAPTL3MBTL1RAB9ACYP1A2
SCHEMBL2898276 0.83 HSD11B1 (0.48) NPSR1MAPTL3MBTL1RAB9ACYP1A2
SCHEMBL3139768 0.82 ALDH1A1 (0.43) MAPTARMEN1KMT2A
SCHEMBL3132680 0.82 ALDH1A1 (0.43) MAPTARMEN1KMT2A
SCHEMBL3144314 0.81 GAA (0.40) NR3C1PGRARESR2PTGS2

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 NPSR1 1224/4885MAPT 4793/4885L3MBTL1 3389/4885

“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.