SCHEMBL3130039

SCHEMBL3130039

CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
CYP2D6 P10635 4/20 0.42
CYP19A1 P11511 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
KCNA3 P22001 1/20 0.41
CYP3A4 P08684 4/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL3212615 0.90 LTA4H (0.63) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL425903 0.90 LTA4H (0.63) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
Iodide SCHEMBL6924529 0.89 LTA4H (0.61) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
Bromide SCHEMBL3130299 0.89 LTA4H (0.61) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1060109 0.87 LTA4H (0.56) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL482308 0.85 LTA4H (0.64) LTA4HKCNA3CYP3A4MLNRNR1I2
SCHEMBL482139 0.85 LTA4H (0.64) LTA4HKCNA3CYP3A4MLNRNR1I2
SCHEMBL9333524 0.85 LTA4H (0.64) LTA4HKCNA3CYP3A4MLNRNR1I2
SCHEMBL2437395 0.85 LTA4H (0.64) LTA4HKCNA3CYP3A4MLNRNR1I2
SCHEMBL482305 0.85 LTA4H (0.64) LTA4HKCNA3CYP3A4MLNRNR1I2

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 LTA4H 1387/4885CYP2D6 1116/4885CYP19A1 1039/4885

“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.