Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 5/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8252884 | 0.81 | AKR1C3 (0.35) | APPAKR1C3AKR1C2ERN1CYP1A1 | |
| SCHEMBL1246657 | 0.81 | TNKS (0.37) | APPAKR1C3AKR1C2ERN1CYP1A1 | |
| SCHEMBL12024979 | 0.80 | ALOX5AP (0.38) | ERN1GAA | |
| SCHEMBL16043928 | 0.79 | CYP1A1 (0.36) | APPERN1CYP1A1CYP1B1GAA | |
| SCHEMBL6685327 | 0.76 | APP (0.42) | APPAKR1C3AKR1C2KCNN4CYP3A4 | |
| SCHEMBL3711502 | 0.76 | HDAC1 (0.42) | APPAKR1C3AKR1C2KCNN4CYP3A4 | |
| SCHEMBL16741144 | 0.75 | ALDH1A1 (0.36) | AKR1C3AKR1C2ERN1CYP1A1CYP1B1 | |
| SCHEMBL153434 | 0.74 | CYP1A1 (0.44) | CYP1A1CYP1B1GAA | |
| SCHEMBL19433353 | 0.73 | PTGS1 (0.31) | ERN1CYP1A1CYP1B1 | |
| Hydrochloric Acid SCHEMBL27743327 | 0.73 | IDO1 (0.43) | CYP1A1CYP1B1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7834034-B2 | Benzothiophene derivatives | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | disclosed |
| US-7772238-B2 | Benzothiophene hydroxamic acid derivatives | MERCK SHARP & DOHME CORP. (US) | 2010-08-10 | — | — | US | disclosed |
| EP-1874295-A4 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| US-20090082308-A1 | Benzothiophene derivatives | MERCK SHARP & DOHME LLC | 2009-03-26 | — | — | US | disclosed |
| US-20090069391-A1 | Benzothiophene hydroxamic acid derivatives | MERCK SHARP & DOHME LLC | 2009-03-12 | — | — | US | disclosed |
| EP-1874295-A1 | BENZOTHIOPHENE DERIVATIVES | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1874755-A2 | BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006115835-A2 | BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | disclosed |
| WO-2006115845-A1 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO., INC. (US) | 2006-11-02 | — | — | 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 (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-20090069391-A1 | Benzothiophene hydroxamic acid derivatives | BRDT, HDAC5, BRPF3 | APP 2453/4885AKR1C3 1224/4885AKR1C2 1706/4885 |
| US-20090082308-A1 | Benzothiophene derivatives | BRDT, HDAC5, BRPF3 | APP 2353/4885AKR1C3 955/4885AKR1C2 1271/4885 |
“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.