Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.39 |
| ▸ | Q9HBH1 | 1/20 | 0.33 | |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL14678629 | 0.90 | CTSB (0.36) | CA1CA2ZDHHC7CTSBCTSS | |
| SCHEMBL12508153 | 0.83 | CA1 (0.34) | CA1CA2ZDHHC7 | |
| SCHEMBL14678650 | 0.79 | NOS3 (0.34) | CA1CA2TAS1R3TAS1R1BIRC2 | |
| SCHEMBL3210314 | 0.78 | CA1 (0.43) | CA1CA2ZDHHC7PDFUSP2 | |
| SCHEMBL3210327 | 0.78 | CA1 (0.43) | CA1CA2ZDHHC7PDFUSP2 | |
| Bromide SCHEMBL1200280 | 0.76 | CA1 (0.42) | CA1CA2ZDHHC7PDFUSP2 | |
| Bromide SCHEMBL1200279 | 0.76 | CA1 (0.42) | CA1CA2ZDHHC7PDFUSP2 | |
| SCHEMBL8005182 | 0.76 | CTSB (0.37) | CA1CA2ZDHHC7PDFTAS1R3 | |
| SCHEMBL8011302 | 0.75 | SIRT2 (0.53) | ALDH1A1CTSBCTSSCTSK | |
| SCHEMBL12508104 | 0.71 | TSHR (0.47) | CA2ALDH1A1LMNACYP2C9CTSB |
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 | CA1 634/4885CA2 885/4885ZDHHC7 626/4885 |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CA1 634/4885CA2 885/4885ZDHHC7 626/4885 |
“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.