Bromide

Bromide

SCHEMBL3136378

Br.Oc1ccc(-c2cccc(S)c2-c2ccc(O)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
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
ESR1 P03372 5/20 0.43
ESR2 Q92731 4/20 0.43
MMP3 P08254 2/20 0.42
MMP2 P08253 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2L1 Q07817 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP9 P14780 1/20 0.37
BACE1 P56817 2/20 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
SCHEMBL502109 0.98 ABL1 (0.45) ABL1ABCB1BCRESR1ESR2
Perchlorate SCHEMBL3126960 0.91 ABL1 (0.40) ABL1ABCB1BCRESR1ESR2
SCHEMBL6448576 0.83 ABL1 (0.54) ABL1ABCB1BCRESR1ESR2
SCHEMBL951244 0.83 ABL1 (0.54) ABL1ABCB1BCRESR1ESR2
Trifluoromethanesulfonic Acid SCHEMBL977832 0.82 BACE1 (0.38) ABL1ABCB1BCRESR1ESR2
Bromide SCHEMBL4613670 0.81 ABL1 (0.54) ABL1ABCB1BCRESR1ESR2
Hydrochloric Acid SCHEMBL28960654 0.81 ABL1 (0.52) ABL1ABCB1BCRESR1ESR2
SCHEMBL28046566 0.81 ESR1 (0.55) ABL1ABCB1BCRESR1ESR2
Bromide SCHEMBL3129129 0.80 ADORA2A (0.38) ALDH1A1HSD17B10
Bromide SCHEMBL3139959 0.80 ENPP1 (0.43) MEN1KMT2APOLBMAPT

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 8 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-7833693-B2 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity AZ ELECTRONIC MATERIALS USA CORP. 2010-11-16 US 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-7521170-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-04-21 US disclosed
US-20090087782-A1 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity MERCK PATENT GMBH (DE) 2009-04-02 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
US-20070015084-A1 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity MERCK PATENT GMBH (DE) 2007-01-18 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 ABL1 155/4885ABCB1 3694/4885BCR 801/4885

“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.