Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 8/20 | 0.55 |
| ▸ | CTSB | P07858 | 9/20 | 0.53 |
| ▸ | CTSL | P07711 | 13/20 | 0.49 |
| ▸ | CTSS | P25774 | 9/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7043152 | 0.97 | CTSK (0.58) | CTSKCTSBCTSLCTSSITGB3 | |
| SCHEMBL6185178 | 0.85 | CTSL (0.59) | CTSKCTSBCTSLCTSS | |
| SCHEMBL7489115 | 0.83 | CTSB (0.46) | CTSKCTSBCTSLCTSSITGB3 | |
| SCHEMBL6182853 | 0.83 | CTSB (0.51) | CTSKCTSBCTSLCTSSITGB3 | |
| SCHEMBL6181105 | 0.80 | CTSK (0.71) | CTSKCTSBCTSLCTSS | |
| SCHEMBL6183146 | 0.79 | CTSB (0.68) | CTSKCTSBCTSLCTSS | |
| SCHEMBL6181560 | 0.79 | CTSB (0.68) | CTSKCTSBCTSLCTSS | |
| SCHEMBL6185539 | 0.79 | CTSB (0.68) | CTSKCTSBCTSLCTSS | |
| SCHEMBL7044811 | 0.78 | CTSL (0.45) | CTSKCTSBCTSLCTSSITGB3 | |
| SCHEMBL6184002 | 0.77 | CTSB (0.60) | CTSKCTSBCTSLCTSS |
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-1161415-B1 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-6593327-B2 | N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates | AXYS PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-06-26 | — | — | US | disclosed |
| US-6476026-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-11-05 | — | — | US | disclosed |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | US | 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 (2 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-20020086996-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | CTSK 32/4885CTSB 11/4885CTSL 14/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | CTSK 32/4885CTSB 11/4885CTSL 14/4885 |
“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.