Dioxane

Dioxane

SCHEMBL6720843

C1COCCO1.O=S(=O)(O)OOO

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
TTR P02766 1/20 0.32

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
SCHEMBL11238980 0.83 CA2 (0.59) CA2TTR
SCHEMBL632874 0.83
Sulfuric Acid SCHEMBL8008480 0.80 CA2 (0.60) CA2
Dioxane SCHEMBL18190958 0.75 TTR (0.38) CA2TTR
SCHEMBL6533129 0.74 CA2 (0.53) CA2
Dioxane SCHEMBL1565192 0.73 CA5A (0.50) CA2TTR
Dioxane SCHEMBL18190957 0.73 CA5A (0.50) CA2TTR
Trimethylammonium SCHEMBL3147628 0.72 CA2 (0.50) CA2
Morpholine SCHEMBL11598863 0.70 MEN1 (0.50) CA2
Dioxane SCHEMBL28184520 0.70 CA5A (0.46) CA2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044065-A1 Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy DOLPHIN DAVID H (CA) 2004-03-04 US claimed
EP-1296721-A2 RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING AND THERAPY The University of British Columbia (CA) 2003-04-02 EP claimed
US-20020102209-A1 Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy UNIVERSITE DE SHERBROOKE (CA) 2002-08-01 US claimed
WO-2001080906-A9 RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING A THERAPY UNIV BRITISH COLUMBIA (CA) 2002-02-21 WO claimed
WO-2001080906-A2 RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING A THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-01 WO claimed
US-20040044065-A1 Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy DOLPHIN DAVID H (CA) 2004-03-04 US disclosed
US-6613304-B2 For imaging renal tissues UNIVERSITY OF BRITISH COLUMBIA (CA) 2003-09-02 US disclosed
EP-1296721-A2 RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING AND THERAPY The University of British Columbia (CA) 2003-04-02 EP disclosed
US-20020102209-A1 Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy UNIVERSITE DE SHERBROOKE (CA) 2002-08-01 US disclosed
WO-2001080906-A9 RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING A THERAPY UNIV BRITISH COLUMBIA (CA) 2002-02-21 WO disclosed
WO-2001080906-A2 RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING A THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-01 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 (2 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-20020102209-A1 Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy MPI, PYCR1, PAICS CA2 3534/4885TTR 608/4885
US-20040044065-A1 Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy MPI, PYCR1, PAICS CA2 3534/4885TTR 608/4885

“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.