Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2007683 | 0.77 | CYP3A4 (0.48) | CYP3A4TDP1ALDH1A1POLBKDM4E | |
| SCHEMBL7134044 | 0.76 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1POLBMEN1 | |
| SCHEMBL17426096 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL7999830 | 0.72 | TDP1 (0.48) | CYP3A4TDP1ALDH1A1POLBMEN1 | |
| SCHEMBL12446368 | 0.72 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1POLBMEN1 | |
| SCHEMBL29597288 | 0.72 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1POLBMEN1 | |
| SCHEMBL1403691 | 0.72 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1POLBKDM4E | |
| SCHEMBL1011883 | 0.72 | TDP1 (0.52) | CYP3A4TDP1ALDH1A1KDM4EESR1 | |
| SCHEMBL12601255 | 0.69 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1RAB9AESR1 | |
| SCHEMBL12889878 | 0.68 | CYP3A4 (0.48) | CYP3A4TDP1KDM4EMAPTRAB9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7935827-B2 | Optically active, heteroaromatic β-hydroxy esters and processes for their preparation from β-keto esters and processes for the preparation of these β-keto esters | BAYER SCHERING PHARMA AG (DE) | 2011-05-03 | — | — | US | disclosed |
| US-20100248313-A1 | NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS | BAYER SCHERING PHARMA AG (DE) | 2010-09-30 | — | — | US | disclosed |
| US-7626035-B2 | Ethyl 2-(benzothiazol-2-yl),2-oxo-acetate; useful in the synthesis of epothilonederivatives; antitumor,-carcinogenic agents; high chemical purity, optical purity,in very good yields and allows an industrial-scale production | BAYER SCHERING PHARMA AG (DE) | 2009-12-01 | — | — | US | disclosed |
| EP-2113031-A1 | OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS, PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-11-04 | — | — | EP | disclosed |
| EP-1863780-A1 | PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | Pharmacia & Upjohn Company LLC (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006100568-A1 | PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |
| US-20060148043-A1 | Novel optically active, heteroaromatic beta-hydroxy esters and processes for their preparation from beta-keto esters and processes for the preparation of these beta-keto esters | BAYER SCHERING PHARMA AG (DE) | 2006-07-06 | — | — | US | disclosed |
| WO-2005064006-A1 | OPTICALLY ACTIVE, HETEROAROMATIC β-HYDROXY ESTERS, PROCESSES FOR THEIR PREPARATION FROM β-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE β-KETO ESTERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-07-14 | — | — | 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-20100248313-A1 | NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS | CYP8B1, HSD17B7, CYP51A1 | CYP3A4 45/4885TDP1 3972/4885ALDH1A1 286/4885 |
| US-20060148043-A1 | Novel optically active, heteroaromatic beta-hydroxy esters and processes for their preparation from beta-keto esters and processes for the preparation of these beta-keto esters | CYP8B1, HSD17B7, CYP51A1 | CYP3A4 45/4885TDP1 3972/4885ALDH1A1 286/4885 |
“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.