Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL16936376 | 0.86 | NPC1 (0.52) | NPC1RAB9AL3MBTL1MMP13TP53 | |
| SCHEMBL16936634 | 0.81 | ALDH1A1 (0.37) | L3MBTL1PTGS2 | |
| SCHEMBL16936947 | 0.81 | NPC1 (0.41) | NPC1RAB9AL3MBTL1MMP13 | |
| SCHEMBL20660114 | 0.76 | RET (0.48) | NPC1RAB9AL3MBTL1 | |
| SCHEMBL28930111 | 0.75 | NPC1 (0.41) | NPC1RAB9AL3MBTL1MMP13TP53 | |
| SCHEMBL20660263 | 0.75 | RAB9A (0.46) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL16936223 | 0.73 | NPC1 (0.53) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL28663864 | 0.73 | NPC1 (0.46) | NPC1RAB9AL3MBTL1MMP13TP53 | |
| SCHEMBL28666879 | 0.73 | NPC1 (0.40) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL18234230 | 0.73 | HDAC6 (0.43) | NPC1RAB9AL3MBTL1MMP13PTGS2 |
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 | NPC1 1641/4885RAB9A 1437/4885L3MBTL1 1082/4885 |
“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.