Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL14678655 | 0.90 | CA1 (0.41) | CTSBCTSSCTSKCA1CA2 | |
| SCHEMBL12508153 | 0.86 | CA1 (0.34) | CA1CA2ZDHHC7 | |
| SCHEMBL8005182 | 0.85 | CTSB (0.37) | CTSBCTSSCTSKCA1CA2 | |
| SCHEMBL14678650 | 0.81 | NOS3 (0.34) | CA1CA2NOS3NOS1NOS2 | |
| SCHEMBL3185298 | 0.76 | CA1 (0.38) | CTSBCTSSCTSKCA1CA2 | |
| SCHEMBL3185290 | 0.76 | CA1 (0.38) | CTSBCTSSCTSKCA1CA2 | |
| Hydrochloric Acid SCHEMBL3871931 | 0.75 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 | |
| Bromide SCHEMBL1199908 | 0.75 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 | |
| Hydrochloric Acid SCHEMBL3871923 | 0.75 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 | |
| Bromide SCHEMBL1199909 | 0.75 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-8748649-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2014-01-16 | — | — | US | disclosed |
| US-8367732-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2013-02-05 | — | — | 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-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CTSB 4/4885CTSS 3/4885CTSK 8/4885 |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CTSB 4/4885CTSS 3/4885CTSK 8/4885 |
“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.