Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18990982 | 1.00 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31079944 | 0.84 | ADRB1 (0.39) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29357788 | 0.84 | ADRB1 (0.39) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18991608 | 0.79 | CYP1A2 (0.37) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18991611 | 0.79 | CYP1A2 (0.37) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20567583 | 0.78 | NAMPT (0.38) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20567585 | 0.78 | NAMPT (0.38) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18991950 | 0.76 | CYP2D6 (0.48) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31080645 | 0.76 | CYP2D6 (0.48) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20565988 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 |
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-11230543-B2 | Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | MERCK SHARP & DOHME CORP. (US) | 2022-01-25 | — | — | US | disclosed |
| EP-3390357-B1 | BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME (US) | 2021-11-10 | — | — | EP | disclosed |
| US-20200361928-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2020-11-19 | — | — | US | disclosed |
| US-20180339983-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2018-11-29 | — | — | US | disclosed |
| EP-3390357-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | Merck Sharp & Dohme Corp. (US) | 2018-10-24 | — | — | EP | disclosed |
| WO-2017106064-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | 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 (3 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-20180339983-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | BMX, BTK, ABCB11 | CYP3A4 1016/4885CYP2D6 112/4885CYP1A2 253/4885 |
| US-11230543-B2 | Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | SQLE, ABCB11, BMX | CYP3A4 946/4885CYP2D6 107/4885CYP1A2 119/4885 |
| US-20200361928-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | ABCB11, SQLE, BMX | CYP3A4 952/4885CYP2D6 96/4885CYP1A2 135/4885 |
“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.