Bromide

Bromide

SCHEMBL3132525

CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.[Br-]

nearest known ligand 0.42

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
ACHE known ✓ P22303 3/20 0.38
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 3/20 0.38
RAB9A P51151 5/20 0.37
SRD5A2 P31213 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 3/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35

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
Bromide SCHEMBL482438 1.00 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Bromide SCHEMBL3742452 1.00 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
SCHEMBL244777 0.98 TSHR (0.44) TSHRLMNATYRL3MBTL1MAPT
SCHEMBL107752 0.98 TSHR (0.44) TSHRLMNATYRL3MBTL1MAPT
Ethane SCHEMBL4602786 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3748986 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Ethane SCHEMBL2439613 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Iodide SCHEMBL5461188 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Water SCHEMBL7702884 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Methane SCHEMBL2436367 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT

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 ACHE 1775/4885TSHR 1087/4885LMNA 4863/4885

“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.