Bromide

Bromide

SCHEMBL5234844

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(C(=O)c5ccc[n+](Cc6ccccc6)c5)c4s3)[C@H](C)[C@H]12.[Br-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
NOS1 P29475 1/20 0.31

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
SCHEMBL5232701 0.94 ABCC2 (0.32) NPSR1L3MBTL1NOS1
SCHEMBL13501610 0.90 ESR1 (0.32) ESR1PTGS1PDE4A
SCHEMBL8226967 0.90 ESR1 (0.32) ESR1PTGS1PDE4A
Iodide SCHEMBL5235454 0.89 ESR1 (0.32) ESR1PTGS1PDE4A
SCHEMBL13946392 0.88 ESR1 (0.31) ESR1PTGS1PDE4A
SCHEMBL5235538 0.87 ESR1 (0.37) ESR1PTGS1PDE4A
SCHEMBL304850 0.84 ABCC2 (0.31)
SCHEMBL29597347 0.84 ABCC2 (0.31)
Trifluoromethanesulfonic Acid SCHEMBL5238034 0.83 ESR1 (0.32) ESR1PTGS1PDE4A
SCHEMBL5237918 0.83 ABCC2 (0.31)

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-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
US-6908913-B2 Carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2005-06-21 US disclosed
US-20040038967-A1 Novel carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2004-02-26 US disclosed
EP-1336612-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2003-08-20 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-20040038967-A1 Novel carbapenem derivatives DHPS, HAMP, MCRS1 NPSR1 631/4885L3MBTL1 2591/4885ESR1 4851/4885

“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.