SCHEMBL1897870

SCHEMBL1897870

CCOC(=O)C1CC1CCBr

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
CA9 Q16790 8/20 0.49
CA12 O43570 7/20 0.49
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
CAPN9 O14815 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
SCHEMBL31715807 1.00 CA1 (0.49) CA1CA2CA9CA12TRPA1
SCHEMBL19513106 0.89 CA1 (0.47) CA1CA2CA9CA12TRPA1
SCHEMBL17670684 0.89 CA1 (0.47) CA1CA2CA9CA12TRPA1
SCHEMBL13868767 0.85 CA1 (0.51) CA1CA2CA9CA12TRPA1
SCHEMBL13201071 0.85 CA1 (0.51) CA1CA2CA9CA12TRPA1
SCHEMBL18202965 0.85 CA1 (0.48) CA1CA2CA9CA12ALDH1A1
SCHEMBL15805069 0.85 CA1 (0.48) CA1CA2CA9CA12ALDH1A1
SCHEMBL1898822 0.85 CA1 (0.51) CA1CA2CA9CA12TRPA1
SCHEMBL28741168 0.83 CA1 (0.47) CA1CA2CA9CA12TRPA1
SCHEMBL26952470 0.83 CA1 (0.47) CA1CA2CA9CA12TRPA1

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
EP-2498605-B1 DIURETICS MERCK SHARP & DOHME (US) 2014-08-27 EP disclosed
US-8354394-B2 Diuretics MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
EP-2498605-A1 DIURETICS Merck Sharp & Dohme Corp. (US) 2012-09-19 EP disclosed
US-20120208838-A1 DIURETICS MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
WO-2011053519-A1 DIURETICS MERCK SHARP & DOHME CORP. (US) 2011-05-05 WO disclosed
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 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 (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-20120208838-A1 DIURETICS REN, AGTR1, AGTR2 CA1 1651/4885CA2 131/4885CA9 328/4885

“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.