Bromide

Bromide

SCHEMBL3139959

Br.Cc1ccc(-c2cccc(S)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 2/20 0.32
ENPP1 P22413 1/20 0.43
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGDS O60760 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 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
SCHEMBL482553 0.98 ENPP1 (0.44) ENPP1MEN1KMT2APOLBTDP1
Iodide SCHEMBL7090862 0.96 ENPP1 (0.43) ENPP1MEN1KMT2APOLBTDP1
Perchlorate SCHEMBL3135944 0.89 ENPP1 (0.39) ENPP1MEN1KMT2APOLBTDP1
SCHEMBL3144542 0.82 LMNA (0.44) MEN1KMT2APOLBTDP1MAPT
Trifluoromethanesulfonic Acid SCHEMBL1088677 0.81 ENPP1 (0.43) ENPP1MEN1KMT2APOLBPTGS2
Bromide SCHEMBL3139909 0.80 ENPP1 (0.44) ENPP1MAPTPTGS2PTGS1NPC1
Bromide SCHEMBL3136378 0.80 ABL1 (0.44) MEN1KMT2APOLBMAPT
Bromide SCHEMBL3129129 0.80 ADORA2A (0.38) PTGS2PTGS1NPC1RAB9ATP53
Bromide SCHEMBL3132540 0.79 KIF11 (0.37) MEN1KMT2AL3MBTL1NPC1RAB9A
Bromide SCHEMBL3130114 0.79 ABL1 (0.49) ENPP1MEN1KMT2AMAPTNPC1

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 1775/4885ENPP1 3425/4885MEN1 3088/4885

“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.