SCHEMBL3134845

SCHEMBL3134845

Clc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
PPARG P37231 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KIF11 P52732 1/20 0.34
RHOC P08134 2/20 0.34
RHOA P61586 2/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
DHFR P00374 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3134861 1.00 CYP19A1 (0.35) CYP19A1PPARGALDH1A1TSHRKIF11
SCHEMBL3244276 0.91 TSHR (0.41) ALDH1A1TSHRKIF11MAPTGAA
SCHEMBL3139294 0.89 KIF11 (0.46) ALDH1A1TSHRKIF11MAPTGAA
SCHEMBL3144568 0.89 KIF11 (0.46) ALDH1A1TSHRKIF11MAPTGAA
SCHEMBL3137155 0.86 TDP1 (0.36) ALDH1A1TSHRKIF11DHFRTDP1
SCHEMBL3130049 0.86 TDP1 (0.36) ALDH1A1TSHRKIF11DHFRTDP1
SCHEMBL3139818 0.85 NFE2L2 (0.39) ALDH1A1TSHRKIF11MAPTGAA
SCHEMBL3130596 0.85 KIF11 (0.37) ALDH1A1TSHRKIF11MAPT
SCHEMBL3132670 0.85 NFE2L2 (0.39) ALDH1A1TSHRKIF11MAPTGAA
SCHEMBL6513245 0.84 TSHR (0.41) ALDH1A1TSHRKIF11MAPTRAB9A

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 CYP19A1 1039/4885PPARG 1770/4885ALDH1A1 139/4885

“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.