Bromide

Bromide

SCHEMBL5026539

Br.Br.CC(C)CN(c1cccc(CC(C)CNC(=O)[C@H](N)C(C)(C)C)c1O)S(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.37

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 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RORC P51449 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
SCHEMBL5928386 0.88 MAPT (0.32) MAPTMAPK1RORC
Hydrochloric Acid SCHEMBL6700206 0.84 CYP11B2 (0.35) MAPT
Hydrochloric Acid SCHEMBL5027237 0.84 RORC (0.36) MAPTMAPK1RORC
SCHEMBL5691126 0.82 KEAP1 (0.39) MAPTRORC
SCHEMBL7945958 0.82 RORC (0.35) RORC
SCHEMBL5031155 0.78 RORC (0.40) MAPTMAPK1RORC
SCHEMBL6101123 0.77 CYP3A4 (0.37) MAPTMAPK1RORC
SCHEMBL5928388 0.76 ALDH1A1 (0.34) MAPTMAPK1RORC
SCHEMBL5029148 0.75 CYP3A4 (0.38) MAPTMAPK1
SCHEMBL6375010 0.72 MCL1 (0.39) RORC

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-7141594-B2 inhibitors of HIV protease for treating AIDS G. D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-6861539-B1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-03-01 US disclosed
US-20040260095-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2004-12-23 US disclosed
US-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-10-07 US disclosed
US-6730669-B2 PROPHYLACTICALLY PREVENTING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, AND TREATMENT OF A RETROVIRAL INFECTION G. D. SEARLE & CO. 2004-05-04 US disclosed
US-6673822-B2 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2004-01-06 US disclosed
US-20030216435-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. 2003-11-20 US disclosed
US-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2003-07-10 US disclosed
EP-0815124-B1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2002-12-04 EP disclosed
EP-1188766-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. Searle & Co. (US) 2002-03-20 EP disclosed
US-6310080-B1 TREATING RETROVIRAL INFECTIONS SUCH AS AIDS G. D. SEARLE & CO. 2001-10-30 US disclosed
US-6214861-B1 ENZYME INHIBITOR; VIRICIDES G.D. SEARLE & CO. 2001-04-10 US disclosed
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 EP disclosed
US-6143788-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
US-6140505-A REACTING A BENZO FUSED HETEROCYCLIC COMPOUND WITH AN SO3 COMPLEX IN THE PRESENCE OF A WATER IMMISCIBLE, NON-REACTIVE SOLVENT, AT A TEMPERATURE OF FROM ABOUT 0 TO ABOUT 75 DEGREES C., COOLING AND THEN ADDING OXALYL HALIDE. G. D. SEARLE & CO. (US) 2000-10-31 US disclosed
US-6063795-A ENZYME INHIBITORS G.D. SEARLE & COMPANY (US) 2000-05-16 US disclosed
US-5972989-A Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5968970-A TREATMENT OF HIV G. D. SEARLE & COMPANY (US) 1999-10-19 US disclosed
US-5965601-A NOVEL COMPOUNDS FOR INHIBITING REPLICATION OF A RETROVIRUS; TREATING HIV G. D. SEARLE & CO. (US) 1999-10-12 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 (4 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-20030216435-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP MAPT 2621/4885MAPK1 2284/4885RORC 4018/4885
US-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP MAPT 3478/4885MAPK1 2825/4885RORC 3495/4885
US-20040260095-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP MAPT 2621/4885MAPK1 2284/4885RORC 4018/4885
US-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP MAPT 3478/4885MAPK1 2825/4885RORC 3495/4885

“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.