Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | FABP3 | P05413 | 3/20 | 0.40 |
| ▸ | FABP4 | P15090 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4001179 | 1.00 | PTGS2 (0.47) | PTGS2ESR1FABP3FABP4S1PR1 | |
| SCHEMBL3866153 | 0.86 | PTGS2 (0.46) | PTGS2FABP3FABP4S1PR1RARB | |
| SCHEMBL1131606 | 0.86 | PTGS2 (0.46) | PTGS2ESR1FABP3FABP4S1PR1 | |
| SCHEMBL1131603 | 0.83 | FABP3 (0.46) | PTGS2FABP3FABP4PKM | |
| SCHEMBL1131599 | 0.83 | FABP3 (0.46) | PTGS2FABP3FABP4PKM | |
| SCHEMBL12860103 | 0.82 | FABP3 (0.47) | PTGS2FABP3FABP4S1PR1RARB | |
| SCHEMBL1131611 | 0.81 | PTGS2 (0.43) | PTGS2ESR1FABP3FABP4GCGR | |
| SCHEMBL5861842 | 0.81 | PTGS2 (0.43) | PTGS2ESR1FABP3FABP4GCGR | |
| SCHEMBL1131608 | 0.77 | ESR1 (0.40) | PTGS2ESR1FABP3FABP4GCGR | |
| SCHEMBL1131325 | 0.75 | CMKLR1 (0.40) | PTGS2FABP3FABP4S1PR1CNR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663105-A4 | CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2009-04-15 | — | — | EP | disclosed |
| US-7112601-B2 | Cycloalkyl heterocycles for treating hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-26 | — | — | US | disclosed |
| EP-1663105-A2 | CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS | Bristol-Myers Squibb Company (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005034850-A2 | CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-21 | — | — | WO | disclosed |
| US-20050075376-A1 | Cycloalkyl heterocycles for treating Hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY | 2005-04-07 | — | — | US | 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-20050075376-A1 | Cycloalkyl heterocycles for treating Hepatitis C virus | HCCS, NSUN2, HAVCR2 | PTGS2 1124/4885ESR1 4488/4885FABP3 3457/4885 |
“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.