Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL773983 | 0.85 | AKR1B1 (0.47) | S1PR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL1703767 | 0.80 | AKR1B1 (0.50) | S1PR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL772932 | 0.79 | S1PR1 (0.44) | S1PR1SMN1; SMN2GAAAKR1B1HTT | |
| SCHEMBL775210 | 0.79 | S1PR1 (0.43) | S1PR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL773038 | 0.78 | S1PR1 (0.55) | S1PR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL774234 | 0.76 | S1PR1 (0.44) | S1PR1SMN1; SMN2GAAAKR1B1TSHR | |
| SCHEMBL1704192 | 0.72 | S1PR1 (0.49) | S1PR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL1543797 | 0.71 | S1PR1 (0.45) | S1PR1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL772948 | 0.71 | HPGD (0.39) | S1PR1AKR1B1TSHRLMNACNR1 | |
| SCHEMBL14363624 | 0.69 | L3MBTL1 (0.47) | S1PR1NPC1RAB9ASMN1; SMN2GAA |
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 | S1PR1 1/4885NPC1 734/4885RAB9A 3147/4885 |
“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.