Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1485462 | 1.00 | TSHR (0.36) | TSHRCTSSCTSK | |
| SCHEMBL473139 | 1.00 | TSHR (0.36) | TSHRCTSSCTSK | |
| Hydrochloric Acid SCHEMBL28201424 | 0.98 | TSHR (0.35) | TSHRCTSSCTSK | |
| SCHEMBL9621866 | 0.83 | CTSS (0.32) | TSHRCTSSCTSK | |
| SCHEMBL30074519 | 0.82 | CTSK (0.38) | TSHRCTSSCTSK | |
| SCHEMBL5216229 | 0.82 | CTSK (0.38) | TSHRCTSSCTSK | |
| SCHEMBL116798 | 0.81 | OR51E2 (0.40) | — | |
| SCHEMBL17280297 | 0.79 | CYP2D6 (0.36) | TSHRCTSSCTSK | |
| SCHEMBL6799320 | 0.79 | NOS1 (0.35) | — | |
| SCHEMBL17280296 | 0.79 | CYP2D6 (0.36) | TSHRCTSSCTSK |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478591-B | A kind of method for splitting of Atorvastatin condensation product intermediate | 北京嘉林药业股份有限公司 | 2018-11-13 | — | — | CN | claimed |
| CN-110498750-A | The synthetic method of one kind (R) -4- hydroxyl-1-methoxy butyl- 2- carbamate | UNIV NANTONG | 2019-11-26 | — | — | CN | disclosed |
| CN-105829286-B | Heteroaryl butanoic acid derivative as LTA4H inhibitor | 诺华股份有限公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-106163509-B | β -substituted β -amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-108770357-A | Polymer combined vaccine | 芝加哥大学 | 2018-11-06 | — | — | CN | disclosed |
| CN-108026026-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107635989-A | Benzimidizole derivatives as bromine domain inhibitor | 葛兰素史克知识产权开发有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107540594-A | The substituted formamide of pyrrolidines 2 | 霍夫曼-拉罗奇有限公司 | 2018-01-05 | — | — | CN | disclosed |
| US-9670228-B2 | Benzoxazepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| US-20170081341-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-03-23 | — | — | US | disclosed |
| WO-2004106304-A2 | 3 - [2- (3-AMINO-2-OXO-2H-PYRIDIN-1-YL) - ACETYLAMINO] - 4- OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-09 | — | — | WO | disclosed |
| US-20040242494-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-12-02 | — | — | US | disclosed |
| CN-1500781-A | Inhibitors of interleukin-1 beta converting enzyme | ��̩��˹ҩ��ɷ�����˾ | 2004-06-02 | — | — | CN | disclosed |
| CN-1484645-A | Novel beta-lactam compound and process for producing the same | ס����ҩ��ʽ���� | 2004-03-24 | — | — | CN | disclosed |
| CN-1127511-C | Inhibitors of interleukin-1 beta converting enzyme | VERTEX PHARMA (US) | 2003-11-12 | — | — | CN | disclosed |
| US-20020193347-A1 | Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method | PPG-SIPSY, A CORPORATION OF FRANCE (FR) | 2002-12-19 | — | — | US | disclosed |
| US-6258948-B1 | AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES | VERTEX PHARMACEUTICALS, INCORPORATED | 2001-07-10 | — | — | US | disclosed |
| US-6204261-B1 | Inhibitors of interleukin-1β Converting enzyme inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2001-03-20 | — | — | US | disclosed |
| CN-1229412-A | Interleukin-1 beta converting enzyme inhibitors | VERTEX PHARMA (US) | 1999-09-22 | — | — | CN | disclosed |
| CN-1207743-A | Inhibitors of interleukin-1 beta converting enzyme | VERTEX PHARMA (US) | 1999-02-10 | — | — | CN | 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 (2 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-20040242494-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | TSHR 4704/4885CTSS 70/4885CTSK 112/4885 |
| US-20170081341-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, PIK3CA, PI4KA | TSHR 2980/4885CTSS 3421/4885CTSK 3069/4885 |
“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.