Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 6/20 | 0.46 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
| ▸ | ACACB | O00763 | 4/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL2742779 | 0.87 | ACACB (0.54) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL13446081 | 0.87 | CTSS (0.60) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL8543180 | 0.87 | CTSS (0.60) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL14588983 | 0.87 | ACACB (0.54) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL23279494 | 0.85 | ACACB (0.59) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL255673 | 0.85 | CTSS (0.60) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL6763468 | 0.85 | NPC1 (0.52) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL13197844 | 0.85 | NPC1 (0.52) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL30101873 | 0.85 | CTSS (0.60) | ATMCTSSCTSKACACBCTSL | |
| SCHEMBL26703849 | 0.85 | ACACB (0.55) | CYP1A2CYP2D6ATMCTSSCTSK |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611771-B1 | SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES | BOEHRINGER INGELHEIM INT (DE) | 2016-11-23 | — | — | EP | disclosed |
| EP-2611771-B1 | SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES | BOEHRINGER INGELHEIM INT (DE) | 2016-11-23 | — | — | EP | disclosed |
| US-8835472-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-16 | — | — | US | disclosed |
| US-8835472-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-16 | — | — | US | disclosed |
| EP-2611771-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| US-20120214785-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| US-20120214785-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | 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 (1 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-20120214785-A1 | New compounds, pharmaceutical compositions and uses thereof | ABCG2, PGA5, PDE6G | CYP1A2 373/4885CYP2D6 54/4885APEX1 4121/4885 |
“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.