Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3017723 | 1.00 | KEAP1 (0.42) | KEAP1NFE2L2ALDH1A1TSHREPHX1 | |
| SCHEMBL9013059 | 0.98 | KEAP1 (0.41) | KEAP1NFE2L2ALDH1A1TSHREPHX1 | |
| SCHEMBL28730098 | 0.98 | KEAP1 (0.44) | KEAP1NFE2L2ALDH1A1TSHREPHX1 | |
| SCHEMBL5981455 | 0.88 | ALDH1A1 (0.44) | KEAP1NFE2L2ALDH1A1EPHX1PDK1 | |
| SCHEMBL18483080 | 0.87 | — | — | |
| SCHEMBL29416278 | 0.79 | EPHX1 (0.37) | KEAP1NFE2L2ALDH1A1EPHX1PDK1 | |
| SCHEMBL20472266 | 0.79 | EPHX1 (0.37) | KEAP1NFE2L2ALDH1A1EPHX1PDK1 | |
| Acetamide SCHEMBL28432259 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRCES2 | |
| SCHEMBL14473686 | 0.78 | EPHX1 (0.39) | KEAP1NFE2L2ALDH1A1TSHREPHX1 | |
| SCHEMBL1876976 | 0.78 | EPHX1 (0.39) | KEAP1NFE2L2ALDH1A1TSHREPHX1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100204200-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2010-08-12 | — | — | US | disclosed |
| US-7732449-B2 | Inhibitors of cathepsin S | IRM LLC (BM) | 2010-06-08 | — | — | US | disclosed |
| EP-1658267-B1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2009-10-14 | — | — | EP | disclosed |
| US-20090137570-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2009-05-28 | — | — | US | disclosed |
| CN-100478331-C | Inhibitors of cathepsin s | IRM LLC (BM) | 2009-04-15 | — | — | CN | disclosed |
| US-7501408-B2 | Inhibitors of cathepsin S | IRM LLC (BM) | 2009-03-10 | — | — | US | disclosed |
| US-20080108595-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2008-05-08 | — | — | US | disclosed |
| EP-1896574-A2 | D-AMINO ACID DEHYDROGENASE AND METHOD OF MAKING D-AMINO ACIDS | BioCatalytics Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| US-7314872-B2 | Inhibitors of cathepsin S | IRM LLC (BM) | 2008-01-01 | — | — | US | disclosed |
| EP-1658267-A4 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2007-08-01 | — | — | EP | disclosed |
| CN-1871216-A | Inhibitors of cathepsin s | IRM LLC (BM) | 2006-11-29 | — | — | CN | disclosed |
| WO-2006113085-A2 | D-AMINO ACID DEHYDROGENASE AND METHOD OF MAKING D-AMINO ACIDS | BIOCATALYTICS, INC. (US) | 2006-10-26 | — | — | WO | disclosed |
| EP-1658267-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2006-05-24 | — | — | EP | disclosed |
| US-20050113356-A1 | Inhibitors of cathepsin S | IRM LLC (BM) | 2005-05-26 | — | — | US | disclosed |
| WO-2005034848-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-04-21 | — | — | 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 (4 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-20090137570-A1 | INHIBITORS OF CATHEPSIN S | CTSS, CTSB, CTSZ | KEAP1 2818/4885NFE2L2 3420/4885ALDH1A1 3512/4885 |
| US-20080108595-A1 | INHIBITORS OF CATHEPSIN S | CTSS, CTSB, CTSZ | KEAP1 2818/4885NFE2L2 3420/4885ALDH1A1 3512/4885 |
| US-20050113356-A1 | Inhibitors of cathepsin S | CTSS, CTSB, CTSZ | KEAP1 2818/4885NFE2L2 3420/4885ALDH1A1 3512/4885 |
| US-20100204200-A1 | INHIBITORS OF CATHEPSIN S | CTSS, CTSE, CTSV | KEAP1 3494/4885NFE2L2 2426/4885ALDH1A1 2502/4885 |
“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.