Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.69 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3460274 | 0.83 | HDAC1 (0.72) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL31249913 | 0.83 | HDAC1 (0.56) | HDAC1HDAC6CYP19A1PDE4BFLT1 | |
| SCHEMBL31249950 | 0.82 | HDAC1 (0.54) | HDAC1HDAC6CYP19A1PDE4B | |
| SCHEMBL31249943 | 0.81 | HDAC1 (0.60) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL31249902 | 0.80 | HDAC1 (0.52) | HDAC1HDAC6CYP19A1PDE4B | |
| SCHEMBL17159812 | 0.80 | CYP19A1 (0.80) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL3235365 | 0.77 | CYP19A1 (0.69) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL31249954 | 0.77 | HDAC1 (0.55) | HDAC1HDAC6CYP19A1MAOAMAOB | |
| SCHEMBL599174 | 0.76 | HDAC1 (0.70) | HDAC1HDAC6CYP19A1PDE4B | |
| SCHEMBL772756 | 0.76 | HDAC1 (0.69) | HDAC1HDAC6 |
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-2440554-B1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2016-10-05 | — | — | EP | disclosed |
| US-8802663-B2 | Pyrazole oxadiazole derivatives as S1P1 agonists | MERCK SERONO SA (CH) | 2014-08-12 | — | — | US | disclosed |
| EP-2440554-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | Merck Serono S.A. (CH) | 2012-04-18 | — | — | EP | disclosed |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2012-03-22 | — | — | US | disclosed |
| WO-2010142628-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO S.A. (CH) | 2010-12-16 | — | — | 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-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | S1PR1, S1PR3, S1PR2 | HDAC1 1070/4885HDAC6 2167/4885CYP19A1 2405/4885 |
“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.