SCHEMBL3136076

SCHEMBL3136076

FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.F[B-](F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.56
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
BACE1 P56817 2/20 0.43
TRPV6 Q9H1D0 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCN2A Q99250 2/20 0.38
CYP19A1 P11511 1/20 0.37
ACP3 P15309 1/20 0.37
NPBWR1 P48145 1/20 0.37
DPP4 P27487 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 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
SCHEMBL3140022 1.00 KIF11 (0.56) KIF11ALDH1A1TSHRBACE1TRPV6
SCHEMBL244792 0.94 ALDH1A1 (0.59) KIF11ALDH1A1TSHRBACE1TRPV6
SCHEMBL3203731 0.94 ALDH1A1 (0.59) KIF11ALDH1A1TSHRBACE1TRPV6
Hydrochloric Acid SCHEMBL31079531 0.91 ALDH1A1 (0.56) KIF11ALDH1A1TSHRBACE1TRPV6
Bromide SCHEMBL3136045 0.91 ALDH1A1 (0.56) KIF11ALDH1A1TSHRBACE1TRPV6
Bromide SCHEMBL3137320 0.91 ALDH1A1 (0.56) KIF11ALDH1A1TSHRBACE1TRPV6
SCHEMBL3141074 0.86 KIF11 (0.50) KIF11ALDH1A1TSHRBACE1TRPV6
SCHEMBL3135290 0.86 KIF11 (0.50) KIF11ALDH1A1TSHRBACE1TRPV6
Perchlorate SCHEMBL3132399 0.86 ALDH1A1 (0.50) KIF11ALDH1A1TSHRBACE1TRPV6
Perchlorate SCHEMBL3139982 0.86 ALDH1A1 (0.50) KIF11ALDH1A1TSHRBACE1TRPV6

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 KIF11 4608/4885ALDH1A1 139/4885TSHR 1087/4885

“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.