Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | FPR3 | P25089 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5164561 | 1.00 | CTSK (0.38) | CTSKCTSSHSD11B1CTSDCTSL | |
| SCHEMBL5025593 | 0.82 | NR1H2 (0.42) | LSSFPR3FPR2ALDH1A1KMT2A | |
| SCHEMBL6018377 | 0.82 | LSS (0.36) | LSSFPR3FPR2ALDH1A1KMT2A | |
| SCHEMBL5025592 | 0.82 | NR1H2 (0.42) | LSSFPR3FPR2ALDH1A1KMT2A | |
| SCHEMBL6018374 | 0.82 | LSS (0.36) | LSSFPR3FPR2ALDH1A1KMT2A | |
| SCHEMBL27374399 | 0.82 | HTR2C (0.37) | LSSFPR3FPR2ALDH1A1KMT2A | |
| SCHEMBL23696902 | 0.81 | HSD11B1 (0.42) | CTSKCTSSHSD11B1CTSDCTSL | |
| SCHEMBL4797308 | 0.81 | HSD11B1 (0.42) | CTSKCTSSHSD11B1CTSDCTSL | |
| SCHEMBL4797314 | 0.81 | HSD11B1 (0.42) | CTSKCTSSHSD11B1CTSDCTSL | |
| SCHEMBL6018862 | 0.79 | LSS (0.35) | LSSFPR3FPR2ACHENR1H2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1768658-A1 | HYDROXYALKYLAMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-04-04 | — | — | EP | disclosed |
| EP-1456171-B1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | EP | disclosed |
| WO-2006125451-A1 | HYDROXYALKYLAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-30 | — | — | WO | disclosed |
| US-20050272774-A1 | Substituted cyclohexane derivatives | ACKERMANN JEAN | 2005-12-08 | — | — | US | disclosed |
| US-6965048-B2 | Hydroxyalkylamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-11-15 | — | — | US | disclosed |
| US-6953806-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-20050009906-A1 | e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate | F. HOFFMAN-LA ROCHE AG (CH) | 2005-01-13 | — | — | US | disclosed |
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| US-20030199550-A1 | Substituted cyclohexane derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-10-23 | — | — | US | disclosed |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | 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 (3 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-20050272774-A1 | Substituted cyclohexane derivatives | LSS, CYP51A1, CYP8B1 | CTSK 2688/4885CTSS 1638/4885HSD11B1 33/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | CTSK 2943/4885CTSS 2474/4885HSD11B1 24/4885 |
| US-20050009906-A1 | e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate | CYP51A1, CYP46A1, LSS | CTSK 641/4885CTSS 235/4885HSD11B1 528/4885 |
“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.