Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1226113 | 1.00 | AAK1 (0.43) | AAK1CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL1226115 | 1.00 | AAK1 (0.43) | AAK1CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL1224951 | 0.86 | AAK1 (0.46) | AAK1CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL1224953 | 0.86 | AAK1 (0.46) | AAK1CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL27842032 | 0.77 | AAK1 (0.56) | AAK1CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL28270739 | 0.76 | AAK1 (0.42) | AAK1MEN1KMT2ABCHEACHE | |
| SCHEMBL1224952 | 0.75 | AAK1 (0.43) | AAK1MEN1KMT2AALDH1A1RECQL | |
| SCHEMBL16371038 | 0.73 | AAK1 (0.68) | AAK1CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL17514243 | 0.72 | AAK1 (0.53) | AAK1CES1ALDH1A1NPSR1PPARG | |
| SCHEMBL2560172 | 0.69 | AAK1 (0.44) | AAK1CES1MEN1KMT2AALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8324417-B2 | Process for the preparation of (S)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof | VIROBAY, INC. (US) | 2012-12-04 | — | — | US | claimed |
| WO-2011022429-A2 | PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF | VIROBAY, INC. (US) | 2011-02-24 | — | — | WO | claimed |
| US-20110046406-A1 | PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF | VIROBAY, INC. (US) | 2011-02-24 | — | — | US | claimed |
| US-8324417-B2 | Process for the preparation of (S)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof | VIROBAY, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| WO-2011022429-A2 | PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF | VIROBAY, INC. (US) | 2011-02-24 | — | — | WO | disclosed |
| US-20110046406-A1 | PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF | VIROBAY, INC. (US) | 2011-02-24 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110046406-A1 | PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF | DNPEP, CTRL, CTSS | AAK1 1682/4885CES1 156/4885MEN1 4193/4885 |
“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.