Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3835641 | 1.00 | THRB (0.31) | THRB | |
| SCHEMBL1378965 | 1.00 | THRB (0.31) | THRB | |
| SCHEMBL13680125 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL13680113 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL9367670 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL30156608 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL13680115 | 0.76 | — | — | |
| SCHEMBL14192825 | 0.76 | — | — | |
| SCHEMBL3832392 | 0.73 | — | — | |
| SCHEMBL4356961 | 0.72 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4620346-B2 | — | — | 2011-01-26 | — | — | JP | claimed |
| EP-1412323-A1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | Schering Aktiengesellschaft (DE) | 2004-04-28 | — | — | EP | claimed |
| US-20030149281-A1 | Protected 3,-5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | SCHERING AG (DE) | 2003-08-07 | — | — | US | claimed |
| WO-2003014068-A1 | PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | claimed |
| EP-1412323-B1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | BAYER SCHERING PHARMA AG (DE) | 2009-09-30 | — | — | EP | disclosed |
| EP-1412323-B1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | BAYER SCHERING PHARMA AG (DE) | 2009-09-30 | — | — | EP | disclosed |
| US-7358382-B2 | Protected 3,5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | BAYER SCHERING PHARMA AG (DE) | 2008-04-15 | — | — | US | disclosed |
| US-7358382-B2 | Protected 3,5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | BAYER SCHERING PHARMA AG (DE) | 2008-04-15 | — | — | US | disclosed |
| US-7358382-B2 | Protected 3,5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | BAYER SCHERING PHARMA AG (DE) | 2008-04-15 | — | — | US | disclosed |
| US-7034165-B2 | Protected 3,-5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | SCHERING AG (DE) | 2006-04-25 | — | — | US | disclosed |
| US-20050267306-A1 | Protected 3,5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-12-01 | — | — | US | disclosed |
| EP-1412323-A1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | Schering Aktiengesellschaft (DE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030149281-A1 | Protected 3,-5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | SCHERING AG (DE) | 2003-08-07 | — | — | US | disclosed |
| WO-2003014068-A1 | PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050267306-A1 | Protected 3,5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | DHPS, VARS1, CYP51A1 | THRB 1824/4885 |
| US-20030149281-A1 | Protected 3,-5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | DHPS, VARS1, CYP51A1 | THRB 1422/4885 |
“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.