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 | 1.00 |
| ▸ | USP28 | Q96RU2 | 9/20 | 1.00 |
| ▸ | ALB | P02768 | 1/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 1/20 | 1.00 |
| ▸ | PDE4A | P27815 | 1/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 1/20 | 1.00 |
| ▸ | DRD3 | P35462 | 1/20 | 1.00 |
| ▸ | HTR2B | P41595 | 1/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 1.00 |
| ▸ | PDE4D | Q08499 | 1/20 | 1.00 |
| ▸ | SHH | Q15465 | 1/20 | 1.00 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 1.00 |
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 SCHEMBL29394718 | 1.00 | USP28 (1.00) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL29363748 | 1.00 | USP28 (1.00) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL29352323 | 1.00 | USP28 (1.00) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL30572288 | 0.99 | USP28 (0.98) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL1017957 | 0.99 | USP28 (0.98) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL17242073 | 0.99 | USP28 (0.98) | USP28ALBHTR1ASLC6A2PDE4A | |
| Vismodegib SCHEMBL17242047 | 0.93 | USP28 (0.87) | USP28ALBHTR1ASLC6A2PDE4A | |
| SCHEMBL1017281 | 0.93 | USP28 (0.86) | USP28ALBHTR1ASLC6A2PDE4A | |
| SCHEMBL12893304 | 0.92 | USP28 (0.85) | USP28ALBHTR1ASLC6A2PDE4A | |
| SCHEMBL1016538 | 0.92 | 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 457 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117384087-A | Synthesis method of 2-chloro-N- [4-chloro-3- (2-pyridyl) phenyl ] -4- (methylsulfonyl) benzamide | 南京大学 | 2024-01-12 | — | — | CN | claimed |
| CN-110590649-A | Preparation method of vismodegib and intermediate thereof | 山东大学 | 2019-12-20 | — | — | CN | claimed |
| US-10343998-B2 | Synthetic path to pharmaceutically acceptable Vismodegib | AZAD PHARMACEUTICAL INGREDIENTS AG (CH) | 2019-07-09 | — | — | US | claimed |
| EP-3046940-B1 | METHODS OF USING ANTI-LGR5 ANTIBODIES | HOFFMANN LA ROCHE (CH) | 2019-07-03 | — | — | EP | claimed |
| US-10246515-B2 | Methods of treating hedgehog-related diseases with an anti-LGR5 antibody | GENENTECH, INC. (US) | 2019-04-02 | — | — | US | claimed |
| EP-3381900-A1 | NEW SYNTHETIC PATH TO PHARMACEUTICALLY ACCEPTABLE VISMODEGIB | AZAD Pharmaceutical Ingredients AG (CH) | 2018-10-03 | — | — | EP | claimed |
| US-20180273477-A1 | Synthetic Path To Pharmaceutically Acceptable Vismodegib | AZAD PHARMACEUTICAL INGREDIENTS AG (CH) | 2018-09-27 | — | — | US | claimed |
| US-20170002085-A1 | METHODS OF USING ANTI-LGR5 ANTIBODIES | GENENTECH, INC. (US) | 2017-01-05 | — | — | US | claimed |
| EP-3046940-A1 | METHODS OF USING ANTI-LGR5 ANTIBODIES | F. Hoffmann-La Roche AG (CH) | 2016-07-27 | — | — | EP | claimed |
| US-9278932-B1 | Process for preparation of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide solid forms | SHILPA MEDICARE LIMITED (IN) | 2016-03-08 | — | — | US | claimed |
| WO-2015073524-A1 | NOVEL METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE | DREXEL UNIVERSITY (US) | 2015-05-21 | — | — | WO | claimed |
| WO-2015042108-A1 | METHODS OF USING ANTI-LGR5 ANTIBODIES | GENENTECH, INC. (US) | 2015-03-26 | — | — | WO | claimed |
| WO-2014147504-A2 | PROCESS FOR PREPARATION OF 2-CHLORO-N-(4-CHLORO-3-PYRIDIN-2-YLPHENYL)-4-METHYLSULFONYLBENZAMIDE SOLID FORMS | SHILPA MEDICARE LIMITED (IN) | 2014-09-25 | — | — | WO | claimed |
| EP-2617414-A2 | Smoothened antagonism for the treatment of hedgehog pathway-related disorders | Novartis AG (CH) | 2013-07-24 | — | — | EP | claimed |
| JP-2012500853-A | — | — | 2012-01-12 | — | — | JP | claimed |
| EP-2346499-A1 | SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS | Novartis AG (CH) | 2011-07-27 | — | — | EP | claimed |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-23 | — | — | US | claimed |
| EP-2328871-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-08 | — | — | EP | claimed |
| WO-2010037715-A1 | SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS | NOVARTIS AG (CH) | 2010-04-08 | — | — | WO | claimed |
| WO-2010027746-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2010-03-11 | — | — | WO | claimed |
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-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | GLI1, SHH, SMO | SMO 3/4885USP28 3322/4885ALB 4880/4885 |
| US-20170002085-A1 | METHODS OF USING ANTI-LGR5 ANTIBODIES | SHH, SMO, GLI1 | SMO 2/4885USP28 3156/4885ALB 4179/4885 |
| US-10246515-B2 | Methods of treating hedgehog-related diseases with an anti-LGR5 antibody | SHH, SMO, GLI1 | SMO 2/4885USP28 2636/4885ALB 4154/4885 |
| US-10343998-B2 | Synthetic path to pharmaceutically acceptable Vismodegib | EGFR, SMO, ERBB2 | SMO 2/4885USP28 4449/4885ALB 2399/4885 |
| US-20180273477-A1 | Synthetic Path To Pharmaceutically Acceptable Vismodegib | EGFR, SMO, ERBB2 | SMO 2/4885USP28 4449/4885ALB 2399/4885 |
“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.