Bromide

Bromide

SCHEMBL2586422

Br.CC(=O)OC[C@H]1O[C@@H](NC(=N)S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.60

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 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A known ✓ P08913 1/20 0.48
▸ ADRA2B known ✓ P18089 1/20 0.48
▸ CA12 O43570 15/20 0.60
▸ CA1 P00915 15/20 0.60
▸ CA2 P00918 15/20 0.60
▸ CA9 Q16790 15/20 0.60
▸ CA14 Q9ULX7 12/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ PTPN1 P18031 1/20 0.46
▸ PRKCA P17252 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ PTK2 Q05397 1/20 0.45

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 SCHEMBL5739204 1.00 CA12 (0.60) CA12CA1CA2CA9CA14
Bromide SCHEMBL5743154 1.00 CA12 (0.60) CA12CA1CA2CA9CA14
Bromide SCHEMBL10716847 0.99 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL7623838 0.99 CA12 (0.61) CA12CA1CA2CA9CA14
Bromide SCHEMBL10714182 0.87 CA12 (0.60) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL5741360 0.85 LMNA (0.50) CA12CA1CA2CA9CA14
SCHEMBL7151935 0.85 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL13163929 0.85 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL13480225 0.85 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL7151688 0.85 CA12 (0.67) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269943-A1 RADIOLABELED ANNEXINS UNIVERSITY OF WASHINGTON (US) 2011-11-03 — — US disclosed
US-7744853-B2 Radiolabeled annexins PONIARD PHARMACEUTICALS, INC. (US) 2010-06-29 — — US disclosed
US-7115248-B2 Radiolabeled annexins NEORX CORPORATION (US) 2006-10-03 — — US disclosed
US-20060029545-A1 Radiolabeled annexins NEORX CORPORATION, REGENTS OF THE UNIVERSITY OF MICHIGAN 2006-02-09 — — US disclosed
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 — — US disclosed
US-20050036948-A1 Radiolabeled annexins NEORX CORPORATION (US) 2005-02-17 — — US disclosed
EP-1486509-A2 Radiolabeled annexin-galactose cluster conjugates NEORX CORPORATION (US) 2004-12-15 — — EP disclosed
EP-0799050-B1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORP (US) 2004-08-11 — — EP disclosed
EP-1426062-A2 Radiolabeled annexins NEORX CORPORATION (US) 2004-06-09 — — EP disclosed
EP-0918547-B1 RADIOLABELED ANNEXINS NEORX CORP (US) 2004-03-10 — — EP disclosed
US-6172045-B1 COMPLEX CONTAINING 1-DESOXY-1-THIO-N-ACETYLGALACTOSAMINE NEORX CORPORATION 2001-01-09 — — US disclosed
US-6171577-B1 ACCESSIBLE SULFHYDRYL GROUP; AND HEXOSE MOIETY RECOGNIZED BY A MAMMALIAN LIVER RECEPTOR, WHEREIN THE HEXOSE MOIETY IS CONJUGATED TO THE ANNEXIN. NEORX CORPORATION 2001-01-09 — — US disclosed
US-5985826-A Methods of using hepatic-directed compounds in pretargeting strategies NEORX CORPORATION (US) 1999-11-16 — — US disclosed
US-5968477-A IMAGING AGENTS WITH SULFHYDRYL GROUPS AND HEXOSE GROUPS NEORX CORPORATION (US) 1999-10-19 — — US disclosed
EP-0918547-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1999-06-02 — — EP disclosed
EP-0743956-A4 PRETARGETING METHODS AND COMPOUNDS NEORX CORP (US) 1999-03-24 — — EP disclosed
US-5886143-A Hepatic-directed compounds and reagents for preparation thereof NEORX CORPORATION (US) 1999-03-23 — — US disclosed
WO-1998004294-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1998-02-05 — — WO disclosed
EP-0743956-A1 PRETARGETING METHODS AND COMPOUNDS NeoRx (US) 1996-11-27 — — EP disclosed
WO-1995015978-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 — — 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 (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-20060029545-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 ADRA2A 1893/4885ADRA2B 1412/4885CA12 1214/4885
US-20050036948-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 ADRA2A 1893/4885ADRA2B 1412/4885CA12 1214/4885
US-20110269943-A1 RADIOLABELED ANNEXINS ANXA11, ANXA1, ANXA3 ADRA2A 1893/4885ADRA2B 1412/4885CA12 1214/4885

“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.

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