Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25366278 | 1.00 | MAPK1 (0.41) | MAPK1PDE4APDE4DLMNAMEN1 | |
| SCHEMBL2847339 | 0.83 | MAPK1 (0.42) | MAPK1PDE4APDE4DLMNAMEN1 | |
| SCHEMBL25366852 | 0.82 | SMN1; SMN2 (0.36) | MAPK1PDE4APDE4DLMNAMEN1 | |
| SCHEMBL25365743 | 0.79 | ALDH1A1 (0.36) | MEN1KMT2ATACR2ALDH1A1 | |
| SCHEMBL25367156 | 0.79 | MEN1 (0.37) | MEN1KMT2ACYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL1598073 | 0.78 | MEN1 (0.47) | MEN1KMT2AALDH1A1 | |
| SCHEMBL21678055 | 0.78 | CYP2D6 (0.49) | MAPK1LMNAMEN1KMT2ACYP2D6 | |
| SCHEMBL23802727 | 0.76 | CYP2D6 (0.48) | MAPK1LMNAMEN1KMT2ACYP2D6 | |
| SCHEMBL23802816 | 0.76 | CYP2D6 (0.48) | MAPK1LMNAMEN1KMT2ACYP2D6 | |
| SCHEMBL11482190 | 0.75 | GLA (0.45) | MAPK1LMNAMEN1KMT2AKDM4E |
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 | MAPK1 1156/4885PDE4A 280/4885PDE4D 423/4885 |
“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.