Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Vismodegib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO known ✓ | Q99835 | 1/20 | 0.98 |
| ▸ | USP28 | Q96RU2 | 9/20 | 0.98 |
| ▸ | ALB | P02768 | 1/20 | 0.98 |
| ▸ | HTR1A | P08908 | 1/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.98 |
| ▸ | PDE4A | P27815 | 1/20 | 0.98 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.98 |
| ▸ | DRD3 | P35462 | 1/20 | 0.98 |
| ▸ | HTR2B | P41595 | 1/20 | 0.98 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.98 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.98 |
| ▸ | SHH | Q15465 | 1/20 | 0.98 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.98 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Vismodegib SCHEMBL30572288 | 1.00 | USP28 (0.98) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL29363748 | 0.99 | USP28 (1.00) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL29394718 | 0.99 | USP28 (1.00) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL302587 | 0.99 | USP28 (1.00) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL29352323 | 0.99 | USP28 (1.00) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL17242073 | 0.98 | USP28 (0.98) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL17242047 | 0.93 | USP28 (0.87) | USP28ALBHTR1ASLC6A2PDE4A | |
| SCHEMBL1017281 | 0.92 | USP28 (0.86) | USP28ALBHTR1ASLC6A2PDE4A | |
| SCHEMBL12893304 | 0.91 | USP28 (0.85) | USP28ALBHTR1ASLC6A2PDE4A | |
| SCHEMBL1016538 | 0.91 | USP28 (0.85) | USP28ALBHTR1ASLC6A2PDE4A |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240116872-A1 | PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2024-04-11 | — | — | US | disclosed |
| US-20230265054-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2023-08-24 | — | — | US | disclosed |
| US-20210070707-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2021-03-11 | — | — | US | disclosed |
| US-20200190030-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2020-06-18 | — | — | US | disclosed |
| US-20180258043-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2018-09-13 | — | — | US | disclosed |
| US-20180029984-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2018-02-01 | — | — | US | disclosed |
| US-9790183-B2 | Pyridyl inhibitors of hedgehog signalling | GENENTECH, INC. (US) | 2017-10-17 | — | — | US | disclosed |
| US-20170015627-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2017-01-19 | — | — | US | disclosed |
| US-20160152569-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2016-06-02 | — | — | US | disclosed |
| US-9321761-B2 | Pyridyl inhibitors of hedgehog signalling | CURIS, INC. (US) | 2016-04-26 | — | — | US | disclosed |
| US-20120094980-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GUNZNER JANET L (US) | 2012-04-19 | — | — | US | disclosed |
| EP-1789390-B1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH INC (US) | 2011-11-09 | — | — | EP | disclosed |
| US-20110092461-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | CURIS ROYALTY LLC | 2011-04-21 | — | — | US | disclosed |
| US-7888364-B2 | Pyridyl inhibitors of hedgehog signalling | CURIS, INC. (US) | 2011-02-15 | — | — | US | disclosed |
| EP-2271642-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | Genentech, Inc. (US) | 2011-01-12 | — | — | EP | disclosed |
| US-20090281089-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2009-11-12 | — | — | US | disclosed |
| WO-2009126863-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2009-10-15 | — | — | WO | disclosed |
| EP-1789390-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | Genentech, Inc. (US) | 2007-05-30 | — | — | EP | disclosed |
| US-20060063779-A1 | Pyridyl inhibitors of hedgehog signalling | CURIS ROYALTY LLC | 2006-03-23 | — | — | US | disclosed |
| WO-2006028958-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2006-03-16 | — | — | 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 (12 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-20200190030-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20160152569-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20230265054-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20240116872-A1 | PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3195/4885ALB 4881/4885 |
| US-20180029984-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20210070707-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20090281089-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20120094980-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20180258043-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20170015627-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20060063779-A1 | Pyridyl inhibitors of hedgehog signalling | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
| US-20110092461-A1 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | SHH, GLI1, SMO | SMO 3/4885USP28 3306/4885ALB 4881/4885 |
“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.