Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4718059 | 0.90 | SSTR4 (0.50) | EGFRERBB2SSTR4CYP1A2CYP2D6 | |
| SCHEMBL13168302 | 0.84 | SSTR4 (0.45) | SSTR4CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL13166749 | 0.84 | SSTR4 (0.45) | EGFRSSTR4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6383048 | 0.82 | EGFR (0.58) | EGFRERBB2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29555606 | 0.81 | CNR2 (0.43) | EGFRERBB2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7057723 | 0.80 | BCHE (0.46) | — | |
| SCHEMBL12062379 | 0.80 | HDAC1 (0.47) | SSTR4HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL4719975 | 0.79 | GPR52 (0.41) | EGFRSSTR4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4719978 | 0.79 | GPR52 (0.41) | EGFRSSTR4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15261600 | 0.77 | HTR2C (0.43) | SSTR4CYP1A2CYP2D6CYP2C19TSHR |
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-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2024-01-18 | — | — | US | disclosed |
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |
| EP-4217353-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | Ermium Therapeutics (FR) | 2023-08-02 | — | — | EP | disclosed |
| WO-2022064075-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2022-03-31 | — | — | 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 (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-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | CXCR4, CXCR1, CXCL12 | EGFR 3433/4885ERBB2 3060/4885SSTR4 3293/4885 |
“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.