Bromide

Bromide

SCHEMBL1498083

Br.CN[C@@H](CCSC)C(=O)O.S

nearest known ligand 0.48

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 16)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43
FOLH1 Q04609 1/20 0.42
CA2 P00918 2/20 0.42
MAPK1 P28482 2/20 0.42
CA1 P00915 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41

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
Hydrogen Sulfide SCHEMBL1498068 0.98 RNPEP (0.50) RNPEPLMNAALDH1A1NPSR1KDM4E
Hydrogen Sulfide SCHEMBL11572294 0.98 RNPEP (0.50) RNPEPLMNAALDH1A1NPSR1KDM4E
Hydrogen Sulfide SCHEMBL1498065 0.98 RNPEP (0.50) RNPEPLMNAALDH1A1NPSR1KDM4E
Water SCHEMBL7531314 0.96 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL232286 0.96 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
Water SCHEMBL7531312 0.96 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
Iodide SCHEMBL3660488 0.96 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL349508 0.96 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
Iodide SCHEMBL3660485 0.96 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL748892 0.96 RNPEP (0.52) RNPEPLMNAALDH1A1NPSR1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US claimed
US-6746678-B1 Method of treating neurological diseases and etiologically related symptomology using carbonyl trapping agents in combination with medicaments SECANT PHARMA, LLC 2004-06-08 US claimed
US-6444221-B1 ADMINISTERING AMINOBENZOIC ACID SECANT PHARMA, LLC 2002-09-03 US claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
US-20120172324-A1 COMPOSITIONS AND METHODS FOR REDUCING THE RISK OF AGENT-INDUCED LIVER TOXICITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-05 US disclosed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
WO-2011035005-A2 COMPOSITIONS AND METHODS FOR REDUCING THE RISK OF AGENT-INDUCED LIVER TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-03-24 WO disclosed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US disclosed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US disclosed
US-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2005-02-10 US disclosed
US-6746678-B1 Method of treating neurological diseases and etiologically related symptomology using carbonyl trapping agents in combination with medicaments SECANT PHARMA, LLC 2004-06-08 US disclosed
US-6444221-B1 ADMINISTERING AMINOBENZOIC ACID SECANT PHARMA, LLC 2002-09-03 US 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 (3 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-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement APP, IAPP, PSEN1 RNPEP 929/4885LMNA 1190/4885ALDH1A1 1185/4885
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES RNPEP 2009/4885LMNA 1677/4885ALDH1A1 68/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 RNPEP 2083/4885LMNA 1646/4885ALDH1A1 59/4885

“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.