SCHEMBL3139512

SCHEMBL3139512

CC(C)(C)c1ccc(S(O[Cl+3]([O-])([O-])[O-])(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD11B1 P28845 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B3 P37058 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B2 P37059 2/20 0.36
UQCRB P14927 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOA P21397 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TSHR P16473 1/20 0.34
NR3C2 P08235 1/20 0.34
APAF1 O14727 1/20 0.34

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
SCHEMBL3136062 1.00 ALDH1A1 (0.44) ALDH1A1HSD11B1NPC1RAB9AHSD17B3
SCHEMBL108184 0.84 HTR6 (0.36) ALDH1A1TDP1CA1CA2TSHR
SCHEMBL3139994 0.82 ALDH1A1 (0.45) ALDH1A1HSD11B1KEAP1NFE2L2TSHR
SCHEMBL3132410 0.82 ALDH1A1 (0.45) ALDH1A1HSD11B1KEAP1NFE2L2TSHR
SCHEMBL3134808 0.79 HTT (0.42) ALDH1A1TDP1L3MBTL1CA1CA2
SCHEMBL3135940 0.79 HTT (0.42) ALDH1A1TDP1L3MBTL1CA1CA2
SCHEMBL3141091 0.79 KIF11 (0.34) HSD11B1
SCHEMBL3144342 0.76 CA4 (0.46) ALDH1A1HSD11B1NPC1RAB9ATDP1
SCHEMBL3135189 0.76 CA4 (0.46) ALDH1A1HSD11B1NPC1RAB9ATDP1
SCHEMBL3132383 0.76 TDP1 (0.43) ALDH1A1HSD11B1TDP1L3MBTL1CA1

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 ALDH1A1 139/4885HSD11B1 718/4885NPC1 4467/4885

“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.