Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4731170 | 1.00 | CA1 (0.37) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL12435102 | 1.00 | CA1 (0.37) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL13016587 | 0.86 | CA1 (0.35) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL12965964 | 0.85 | CA1 (0.38) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL4730969 | 0.85 | CA1 (0.38) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL19388114 | 0.84 | CTSK (0.43) | CA1CA2CA7CTSSCTSK | |
| SCHEMBL19388219 | 0.84 | CTSK (0.43) | CA1CA2CA7CTSSCTSK | |
| SCHEMBL19388220 | 0.84 | CTSK (0.43) | CA1CA2CA7CTSSCTSK | |
| SCHEMBL15898487 | 0.83 | CA1 (0.33) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL14443734 | 0.82 | CA1 (0.56) | CA1CA2CA7CYP2D6CTSS |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796705-B2 | Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2017-10-24 | — | — | US | disclosed |
| US-9669027-B2 | Hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2017-06-06 | — | — | US | disclosed |
| EP-2850075-B1 | PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2017-02-22 | — | — | EP | disclosed |
| US-20170008879-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2017-01-12 | — | — | US | disclosed |
| US-20160038483-A1 | HEPATITIS C VIRUS INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-02-11 | — | — | US | disclosed |
| US-9212168-B2 | Hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-12-15 | — | — | US | disclosed |
| US-9206159-B2 | Piperazine-piperidine compounds as hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-12-08 | — | — | US | disclosed |
| US-9206159-B2 | Piperazine-piperidine compounds as hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-12-08 | — | — | US | disclosed |
| US-9139569-B2 | Fused tricyclic aryl compounds useful for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2015-09-22 | — | — | US | disclosed |
| US-8637457-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| US-20080045480-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED | 2008-02-21 | — | — | US | disclosed |
| US-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | PITLIK JANOS | 2007-12-20 | — | — | US | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |
| US-20070179167-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
| US-20070161789-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED | 2007-07-12 | — | — | US | disclosed |
| US-7241796-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INC. (US) | 2007-07-10 | — | — | US | disclosed |
| US-20070105781-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-05-10 | — | — | US | disclosed |
| US-7208600-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-04-24 | — | — | US | disclosed |
| US-20070087973-A1 | producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections | VERTEX PHARMACEUTICALS INCORPORATED | 2007-04-19 | — | — | US | disclosed |
| WO-2007002172-A2 | HIV-1 PROTEASE INHIBITORS | UNIVERSITY OF MASSACHUSETTS (US) | 2007-01-04 | — | — | 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 (8 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-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | SERPINB1, PRSS1, SPINT2 | CA1 3832/4885CA2 4216/4885CA7 3966/4885 |
| US-20070087973-A1 | producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections | PRSS1, CTRL, TMPRSS2 | CA1 1783/4885CA2 3230/4885CA7 2746/4885 |
| US-20160038483-A1 | HEPATITIS C VIRUS INHIBITORS | HAVCR2, SLC10A1, HDGF | CA1 2802/4885CA2 1429/4885CA7 1504/4885 |
| US-20070105781-A1 | Inhibitors of serine proteases | PRSS1, SERPINB1, PRSS3 | CA1 276/4885CA2 519/4885CA7 481/4885 |
| US-20070161789-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | PRSS1, SERPINB1, SPINT2 | CA1 3047/4885CA2 3227/4885CA7 3081/4885 |
| US-20170008879-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | ZC3HAV1, HAVCR2, ZC3HAV1L | CA1 3169/4885CA2 4254/4885CA7 1843/4885 |
| US-20070179167-A1 | Inhibitors of serine proteases | PRSS1, PRSS3, PRSS2 | CA1 1235/4885CA2 1981/4885CA7 2274/4885 |
| US-20080045480-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | SERPINB1, PRSS1, SPINT2 | CA1 3866/4885CA2 4315/4885CA7 3997/4885 |
“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.