Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15178386 | 0.93 | CNR2 (0.47) | S1PR1CREBBPTSHRMAPK1GAA | |
| SCHEMBL732774 | 0.86 | TSHR (0.44) | CREBBPTSHRGAAKDM4EKMT2A | |
| SCHEMBL733580 | 0.77 | ROCK2 (0.46) | S1PR1CREBBP | |
| SCHEMBL1501791 | 0.75 | S1PR1 (0.51) | S1PR1CREBBPTSHRKDM4EALDH1A1 | |
| SCHEMBL731379 | 0.75 | PDK2 (0.45) | S1PR1CREBBPTSHR | |
| SCHEMBL730899 | 0.73 | AAK1 (0.44) | TSHRMAPK1KMT2ACNR2L3MBTL1 | |
| SCHEMBL28030473 | 0.72 | TSHR (0.66) | TSHRGAAKMT2AMEN1GLA | |
| SCHEMBL29633582 | 0.72 | KDM4E (0.51) | CREBBPTSHRMAPK1GAAKDM4E | |
| SCHEMBL1501800 | 0.72 | S1PR1 (0.50) | S1PR1CREBBPTSHRGAAKMT2A | |
| SCHEMBL1501518 | 0.71 | TSHR (0.56) | CREBBPTSHRMAPK1GAAKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120569-B1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME (US) | 2013-08-14 | — | — | EP | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | 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-20090270436-A1 | SPIROCHROMANON DERIVATIVES | AKR1C3, CBR3, AKR1C4 | S1PR1 1461/4885CREBBP 3128/4885TSHR 680/4885 |
“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.