Bromide

Bromide

SCHEMBL14060445

Br.CCCCCCCCCCCCCCN(C)CCCP(=O)(OCC)OCC

nearest known ligand 0.59

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 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.59
S1PR1 P21453 1/20 0.59
S1PR3 Q99500 1/20 0.59
S1PR5 Q9H228 1/20 0.59
GGPS1 O95749 4/20 0.46
FDPS P14324 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRM1 P35372 1/20 0.46
PDE3A Q14432 1/20 0.46
PPARD Q03181 1/20 0.41
DNM1 Q05193 1/20 0.41
KDM5A P29375 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
PHF8 Q9UPP1 1/20 0.40

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 SCHEMBL14060814 1.00 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL17449234 0.98 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL17449236 0.98 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL17577720 0.85 S1PR2 (0.45) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL2941289 0.81 PPARD (0.54) PPARD
SCHEMBL503511 0.81 PPARD (0.54) PPARD
SCHEMBL3980817 0.81 PPARD (0.54) PPARD
SCHEMBL4243149 0.81 PPARD (0.54) PPARD
SCHEMBL503890 0.81 PPARD (0.54) PPARD
SCHEMBL2185289 0.81 PPARD (0.54) PPARD

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-3610868-B1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID DERIVATIVES AND THEIR MEDICAL USE GRI BIO INC (US) 2025-02-19 EP disclosed
US-10829506-B2 Amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use GRI BIO, INC. (US) 2020-11-10 US disclosed
EP-3610868-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE GRI Bio, Inc. (US) 2020-02-19 EP disclosed
EP-2809318-B1 AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE GRI BIO INC (US) 2019-05-08 EP disclosed
US-9850265-B2 Amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use GRI BIO, INC. (US) 2017-12-26 US disclosed
US-20160016981-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE GLYCOREGIMMUNE, INC. (US) 2016-01-21 US disclosed
EP-2809318-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE Jado Technologies GmbH (DE) 2014-12-10 EP disclosed
WO-2012160187-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE JADO TECHNOLOGIES GMBH (DE) 2012-11-29 WO 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 (2 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-10829506-B2 Amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use AADAT, AASDHPPT, ASS1 S1PR2 1691/4885S1PR1 1737/4885S1PR3 2220/4885
US-20160016981-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE AADAT, AASDHPPT, ASS1 S1PR2 1701/4885S1PR1 1696/4885S1PR3 2169/4885

“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.