Bromide

Bromide

SCHEMBL3130299

CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.[Br-]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.46
CHRM1 known ✓ P11229 1/20 0.46
CHRM3 known ✓ P20309 1/20 0.46
LTA4H P09960 4/20 0.61
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
KCNA3 P22001 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ESR1 P03372 1/20 0.46

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 0.98 LTA4H (0.63) LTA4HCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL425903 0.98 LTA4H (0.63) LTA4HCYP3A4ALDH1A1LMNAMAPK1
Iodide SCHEMBL6924529 0.96 LTA4H (0.61) LTA4HCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL482305 0.93 LTA4H (0.64) LTA4HCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL482139 0.93 LTA4H (0.64) LTA4HCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL2437395 0.93 LTA4H (0.64) LTA4HCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL482308 0.93 LTA4H (0.64) LTA4HCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL9333524 0.93 LTA4H (0.64) LTA4HCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL1060109 0.91 LTA4H (0.56) LTA4HCYP3A4ALDH1A1LMNAMAPK1
Methane SCHEMBL2436452 0.91 LTA4H (0.62) LTA4HCYP3A4ALDH1A1LMNAMAPK1

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 CHRM2 402/4885CHRM1 166/4885CHRM3 516/4885

“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.