Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16936621 | 0.87 | ALDH1A1 (0.39) | PTGS2ALDH1A1PKMHTTERCC5 | |
| SCHEMBL16936260 | 0.86 | PTGS2 (0.43) | PTGS2ALDH1A1PKMHTTERCC5 | |
| SCHEMBL16936505 | 0.85 | PTGS2 (0.43) | PTGS2ALDH1A1PKMHTTERCC5 | |
| SCHEMBL16936530 | 0.80 | NPC1 (0.49) | PTGS2L3MBTL1 | |
| SCHEMBL16936754 | 0.80 | PTGS2 (0.43) | PTGS2ALDH1A1PKMHTTERCC5 | |
| SCHEMBL16936686 | 0.79 | PTGS2 (0.42) | PTGS2ALDH1A1PKMHTTERCC5 | |
| SCHEMBL18234232 | 0.78 | PTGS2 (0.46) | PTGS2ERCC5FEN1 | |
| SCHEMBL16936349 | 0.77 | PTGS2 (0.41) | PTGS2ALDH1A1PKMHTTERCC5 | |
| SCHEMBL16936767 | 0.77 | L3MBTL1 (0.48) | PTGS2ALDH1A1PKMERCC5FEN1 | |
| SCHEMBL16936782 | 0.77 | P2RX7 (0.40) | ALDH1A1PKMCA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3096754-B1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-08-29 | — | — | EP | disclosed |
| US-9708336-B2 | Metallo-beta-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| EP-3096754-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-11-30 | — | — | EP | disclosed |
| US-20160333021-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-11-17 | — | — | US | disclosed |
| WO-2015112441-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160333021-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MGAM, MGAM2, GAA | PTGS2 1698/4885ALDH1A1 329/4885PKM 2536/4885 |
“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.