Bromide

Bromide

SCHEMBL426277

CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C(C)C)n1.[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 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.36
GCGR P47871 8/20 0.36
PTGS2 P35354 2/20 0.36
KIT P10721 1/20 0.34
HMGCR P04035 1/20 0.34
ADORA1 P30542 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL17975734 0.82 GCGR (0.53) GCGRKIT
SCHEMBL2221425 0.82 PTGS2 (0.37) JAK1GCGRPTGS2KITHMGCR
SCHEMBL14953476 0.82 JAK1 (0.36) JAK1GCGRPTGS2KITHMGCR
SCHEMBL4773885 0.82 GCGR (0.41) GCGRKIT
SCHEMBL3264910 0.82 GCGR (0.41) GCGRKIT
SCHEMBL2306437 0.81 JAK1 (0.38) JAK1GCGRPTGS2KITHMGCR
SCHEMBL15310067 0.80 GCGR (0.40) GCGR
SCHEMBL15139859 0.80 GCGR (0.39) JAK1GCGRKIT
Bromide SCHEMBL4449437 0.78 GCGR (0.41) GCGR
Bromide SCHEMBL426278 0.78 AKT1 (0.52) PTGS2HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376397-B2 Key intermediates for the synthesis of rosuvastatin or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2016-06-28 US disclosed
EP-2024341-B1 NOVEL PROCESS FOR STATINS AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN LAB PRIVATE LTD (IN) 2015-12-02 EP disclosed
US-20150141449-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2015-05-21 US disclosed
EP-2391609-B1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2015-01-28 EP disclosed
EP-2341054-B1 Process for the synthesis of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS (SI) 2014-06-25 EP disclosed
EP-1937696-B1 PROCESS FOR THE SYNTHESIS OF HMG-CoA REDUCTASE INHIBITORS LEK PHARMACEUTICALS (SI) 2013-05-22 EP disclosed
US-8269001-B2 Process for the synthesis of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS D.D. (SI) 2012-09-18 US disclosed
US-20120022091-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-01-26 US disclosed
EP-2341054-A1 Process for the synthesis of HMG-CoA reductase inhibitors LEK Pharmaceuticals d.d. (SI) 2011-07-06 EP disclosed
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-12-04 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-20150141449-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, FDPS, SIRT5 JAK1 3693/4885GCGR 3607/4885PTGS2 2512/4885
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors HMGCR, COASY, LSS JAK1 4455/4885GCGR 1741/4885PTGS2 291/4885
US-20120022091-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, FDPS, SIRT5 JAK1 3693/4885GCGR 3607/4885PTGS2 2512/4885

“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.