Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | NSD2 | O96028 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18472383 | 0.94 | CA2 (0.34) | CTSSCTSKNSD2CYP3A4CA2 | |
| SCHEMBL18472386 | 0.83 | CTSS (0.32) | CTSSCTSK | |
| SCHEMBL19730326 | 0.82 | CTSS (0.32) | CTSSCTSK | |
| SCHEMBL18472395 | 0.80 | AAK1 (0.32) | — | |
| SCHEMBL18472391 | 0.79 | AAK1 (0.32) | — | |
| SCHEMBL16979749 | 0.79 | FOLH1 (0.38) | CTSSCTSKCA2CA9 | |
| SCHEMBL16979737 | 0.78 | ALDH1A1 (0.40) | CA2CA9 | |
| SCHEMBL18472393 | 0.77 | MMP1 (0.35) | — | |
| SCHEMBL18472397 | 0.77 | MME (0.32) | CA2CA9 | |
| SCHEMBL18472382 | 0.77 | PAX8 (0.32) | USP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2018-07-10 | — | — | US | disclosed |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |
| US-9783487-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2017-10-10 | — | — | US | disclosed |
| US-20170036992-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-02-09 | — | — | 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 (3 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-20170036992-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | CTSS 3089/4885CTSK 3800/4885NSD2 4536/4885 |
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | SLC7A1, SLC3A2, SLC43A1 | CTSS 3040/4885CTSK 3719/4885NSD2 4531/4885 |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | CTSS 3089/4885CTSK 3800/4885NSD2 4536/4885 |
“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.