Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL6315698

C=CCON(C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C(=O)OCc1ccccc1.[Br-]

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ SLC15A1 P46059 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CTSB P07858 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 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
Bromide SCHEMBL6315690 1.00 ALDH1A1 (0.36) ALDH1A1HCAR2SLC15A1L3MBTL1LMNA
Trifluoromethanesulfonic Acid SCHEMBL5898731 0.90 PTPN1 (0.33) ALDH1A1HCAR2SLC15A1L3MBTL1LMNA
SCHEMBL5898733 0.84 ALDH1A1 (0.39) ALDH1A1HCAR2L3MBTL1LMNACTSB
SCHEMBL7042340 0.83 ALDH1A1 (0.42) ALDH1A1HCAR2L3MBTL1LMNACTSB
SCHEMBL5898737 0.82 ALDH1A1 (0.41) ALDH1A1HCAR2L3MBTL1LMNACTSB
Bromide SCHEMBL180801 0.68 ALDH1A1 (0.58) ALDH1A1HCAR2SLC15A1L3MBTL1LMNA
SCHEMBL31153792 0.67 ALDH1A1 (0.46) ALDH1A1HCAR2SLC15A1L3MBTL1LMNA
SCHEMBL26290931 0.67 ALDH1A1 (0.56) ALDH1A1HCAR2L3MBTL1LMNACTSB
SCHEMBL18510056 0.67 ALDH1A1 (0.56) ALDH1A1HCAR2L3MBTL1LMNACTSB
SCHEMBL7039395 0.66 CTSB (0.46) ALDH1A1HCAR2CTSBHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861416-B2 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. (CA) 2005-03-01 — — US disclosed
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for CHIROLOGIX PHARMACEUTICALS, INC (CA) 2004-02-05 — — 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 (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-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for SQLE, DHPS, COASY ALDH1A1 648/4885HCAR2 1666/4885SLC15A1 1151/4885

“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.