Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12656515 | 0.91 | HDAC1 (0.56) | NOTUMCHRM2CHRM3HDAC1HDAC6 | |
| SCHEMBL4572832 | 0.88 | CHRM2 (0.68) | NOTUMCHRM2CHRM3HDAC1HDAC6 | |
| SCHEMBL2888546 | 0.82 | NOTUM (0.54) | NOTUMNPY5RHDAC1HDAC6ALDH1A1 | |
| SCHEMBL4572834 | 0.82 | CHRM2 (0.58) | NOTUMCHRM2CHRM3NPY5RALDH1A1 | |
| SCHEMBL4572948 | 0.81 | NOTUM (0.50) | NOTUMCHRM2CHRM3NPY5RHDAC1 | |
| SCHEMBL17653945 | 0.78 | HDAC1 (0.57) | NOTUMCHRM2CHRM3HDAC1HDAC6 | |
| SCHEMBL6025353 | 0.78 | ALDH1A1 (0.62) | CHRM2CHRM3ALDH1A1MAPTMAPK1 | |
| SCHEMBL5352710 | 0.77 | NOTUM (0.48) | NOTUMCHRM2CHRM3NPY5RHDAC1 | |
| SCHEMBL3014379 | 0.76 | NOTUM (0.46) | NOTUMCHRM2CHRM3HDAC1HDAC6 | |
| SCHEMBL30930563 | 0.76 | NOTUM (0.71) | NOTUMHDAC1HDAC6CNR2NPC1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080207683-A1 | BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. | 2008-08-28 | — | — | US | claimed |
| US-7307095-B2 | Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide | IRM LLC (BM) | 2007-12-11 | — | — | US | claimed |
| US-20070123523-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2007-05-31 | — | — | US | claimed |
| US-7173051-B2 | Inhibitors of cathepsin S | IRM, LLC (BM) | 2007-02-06 | — | — | US | claimed |
| US-20050049244-A1 | Inhibitors of cathepsin S | IRM LLC (BM) | 2005-03-03 | — | — | US | claimed |
| WO-2004112709-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-12-29 | — | — | WO | claimed |
| US-20080207683-A1 | BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. | 2008-08-28 | — | — | US | disclosed |
| US-7307095-B2 | Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide | IRM LLC (BM) | 2007-12-11 | — | — | US | disclosed |
| US-20070123523-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2007-05-31 | — | — | US | disclosed |
| US-7173051-B2 | Inhibitors of cathepsin S | IRM, LLC (BM) | 2007-02-06 | — | — | US | disclosed |
| US-20050049244-A1 | Inhibitors of cathepsin S | IRM LLC (BM) | 2005-03-03 | — | — | US | disclosed |
| WO-2004112709-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-12-29 | — | — | 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-20050049244-A1 | Inhibitors of cathepsin S | CTSS, CTSB, CTSZ | NOTUM 796/4885CHRM2 4522/4885CHRM3 4498/4885 |
| US-20080207683-A1 | BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S | CTSS, CTSK, CTSZ | NOTUM 2052/4885CHRM2 3963/4885CHRM3 3576/4885 |
| US-20070123523-A1 | INHIBITORS OF CATHEPSIN S | CTSS, CTSB, CTSZ | NOTUM 796/4885CHRM2 4522/4885CHRM3 4498/4885 |
“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.