Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPA3 | P15088 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11636918 | 0.90 | CA1 (0.63) | CA1CA2ALDH1A1MAPK1TDP1 | |
| SCHEMBL8209047 | 0.90 | MMP2 (0.53) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8209048 | 0.90 | MMP2 (0.53) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8216771 | 0.88 | MMP2 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8216245 | 0.88 | MMP2 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8209053 | 0.88 | MMP2 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8221230 | 0.88 | MMP2 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8209054 | 0.88 | MMP2 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8216769 | 0.88 | MMP2 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8216244 | 0.88 | MMP2 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110144074-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | US | disclosed |
| US-20110144074-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | US | disclosed |
| US-20110144074-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | US | disclosed |
| US-7960398-B2 | Potent inhibitors of TNF activity | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-14 | — | — | US | disclosed |
| US-7960398-B2 | Potent inhibitors of TNF activity | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-14 | — | — | US | disclosed |
| US-7960398-B2 | Potent inhibitors of TNF activity | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-14 | — | — | US | disclosed |
| EP-2295054-A1 | Ice inhibitors for the treatment of autoinflammatory diseases | Vertex Pharmaceuticals Incorporated (US) | 2011-03-16 | — | — | EP | disclosed |
| US-7875712-B2 | inhibitors of apoptosis and IL-1 beta secretion; mediate cell apoptosis and inflammation; good cell penetration and pharmacokinetic properties; [3S/R(2S)]3-[2-(Carbazol-9-yl-2-oxo-ethyl)-pentanoylamino]-5-fluoro-4-oxo-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-25 | — | — | US | disclosed |
| US-7875712-B2 | inhibitors of apoptosis and IL-1 beta secretion; mediate cell apoptosis and inflammation; good cell penetration and pharmacokinetic properties; [3S/R(2S)]3-[2-(Carbazol-9-yl-2-oxo-ethyl)-pentanoylamino]-5-fluoro-4-oxo-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-25 | — | — | US | disclosed |
| US-7875712-B2 | inhibitors of apoptosis and IL-1 beta secretion; mediate cell apoptosis and inflammation; good cell penetration and pharmacokinetic properties; [3S/R(2S)]3-[2-(Carbazol-9-yl-2-oxo-ethyl)-pentanoylamino]-5-fluoro-4-oxo-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-25 | — | — | US | disclosed |
| US-20080015172-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-17 | — | — | US | disclosed |
| EP-1778221-A2 | ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2005117846-A2 | ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-12-15 | — | — | WO | disclosed |
| US-20050267101-A1 | Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases | VERTEX PHARMACEUTICALS INCORPORATED | 2005-12-01 | — | — | US | disclosed |
| EP-1499898-A2 | REGULATION OF TNF-ALPHA | Vertex Pharmaceuticals Incorporated (US) | 2005-01-26 | — | — | EP | disclosed |
| US-20040048797-A1 | Regulation of TNF-alpha | VERTEX PHARMACEUTICALS INCORPORATED | 2004-03-11 | — | — | US | disclosed |
| EP-1392289-A2 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2003088917-A2 | REGULATION OF TNF-ALPHA | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-10-30 | — | — | WO | disclosed |
| US-20030092703-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-15 | — | — | US | disclosed |
| WO-2002094263-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-28 | — | — | 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 (5 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-20080015172-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP2, CASP9 | CA1 107/4885CA2 166/4885ALDH1A1 1417/4885 |
| US-20110144074-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP2, CASP9 | CA1 112/4885CA2 171/4885ALDH1A1 1317/4885 |
| US-20040048797-A1 | Regulation of TNF-alpha | TNF, TNFRSF1A, TNFRSF9 | CA1 2873/4885CA2 3930/4885ALDH1A1 1472/4885 |
| US-20050267101-A1 | Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases | IL1B, IL1A, NFKBIA | CA1 1583/4885CA2 1290/4885ALDH1A1 140/4885 |
| US-20030092703-A1 | Caspase inhibitors and uses thereof | CASP1, CASP2, CASP3 | CA1 106/4885CA2 275/4885ALDH1A1 802/4885 |
“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.