Bromide

Bromide

SCHEMBL3139909

Br.Fc1ccc(-c2cccc(S)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.44

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
HTR1A known ✓ P08908 1/20 0.36
SLC6A4 known ✓ P31645 1/20 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
ENPP1 P22413 1/20 0.44
PTGS2 P35354 8/20 0.38
PTGS1 P23219 4/20 0.38
MAPK14 Q16539 2/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL5702366 0.98 ENPP1 (0.45) ENPP1PTGS2PTGS1MAPK14DAPK3
Perchlorate SCHEMBL3140978 0.89 ENPP1 (0.40) ENPP1PTGS2PTGS1MAPK14DAPK3
Trifluoromethanesulfonic Acid SCHEMBL3130162 0.82 ENPP1 (0.42) ENPP1PTGS2PTGS1MAPK14NTRK1
Bromide SCHEMBL3137328 0.81 KIF11 (0.45) ENPP1ALDH1A1MAPTMAOB
Bromide SCHEMBL3136378 0.80 ABL1 (0.44) ABL1ALDH1A1MAPTBCL2L1
Bromide SCHEMBL3139959 0.80 ENPP1 (0.43) ENPP1PTGS2PTGS1NPC1MAPT
Bromide SCHEMBL3129129 0.80 ADORA2A (0.38) PTGS2PTGS1FGFR1HTR7HTR1A
SCHEMBL3136615 0.80 PTGS2 (0.39) ENPP1PTGS2PTGS1MAPK14SLC6A4
SCHEMBL4115870 0.79 PTGS2 (0.47) ENPP1PTGS2PTGS1MAPK14DAPK3
SCHEMBL4669356 0.79 ALDH1A1 (0.41) ENPP1ALDH1A1MAPTBCL2L1

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 HTR1A 669/4885SLC6A4 2120/4885SLC6A3 2166/4885

“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.