Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24254325 | 0.87 | CYP2D6 (0.67) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL5898644 | 0.85 | CYP2D6 (0.51) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL8232303 | 0.83 | CYP2D6 (0.62) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL28689240 | 0.81 | KAT6A (0.61) | CYP2D6CYP2C9CYP2C19TSHRKMT2A | |
| SCHEMBL2980810 | 0.76 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL7455235 | 0.75 | CYP2D6 (0.62) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL4433902 | 0.75 | CYP2D6 (0.62) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL1164889 | 0.75 | CYP2D6 (0.62) | CYP2D6CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL1863910 | 0.75 | CYP2D6 (0.62) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL28978077 | 0.75 | CYP2D6 (0.62) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697354-B1 | ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME (US) | 2013-08-07 | — | — | EP | disclosed |
| EP-1485089-B1 | COMBINATION TREATMENTS FOR CHEMOKINE-MEDIATED DISEASES | MERCK SHARP & DOHME (US) | 2013-04-17 | — | — | EP | disclosed |
| EP-1539678-B1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | SCHERING CORPORATION (US) | 2011-09-01 | — | — | US | disclosed |
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-7960433-B2 | Treatment of chemokine mediated diseases | SCHERING CORPORATION (US) | 2011-06-14 | — | — | US | disclosed |
| US-7947720-B2 | 3,4-di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-05-24 | — | — | US | disclosed |
| US-7786149-B2 | Thiadiazoles as CXC- and CC- chemokine receptor ligands | SCHERING CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-7691856-B2 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-04-06 | — | — | US | disclosed |
| US-7671212-B2 | Isothiazole dioxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |
| EP-1539678-A1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORPORATION (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1485089-A1 | COMBINATION TREATMENTS FOR CHEMOKINE-MEDIATED DISEASES | SCHERING CORPORATION (US) | 2004-12-15 | — | — | EP | disclosed |
| US-20040186142-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands | SCHERING CORPORATION PHARMACOPEIA, INC. | 2004-09-23 | — | — | US | disclosed |
| US-20040147559-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2004-07-29 | — | — | US | disclosed |
| US-20040106794-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION | 2004-06-03 | — | — | US | disclosed |
| US-20040097547-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | PHARMACOPEIA DRUG DISCOVERY | 2004-05-20 | — | — | US | disclosed |
| WO-2004033440-A1 | THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORPORATION (US) | 2004-04-22 | — | — | WO | disclosed |
| US-20040053953-A1 | Treatment of chemokine mediated diseases | SCHERING CORPORATION | 2004-03-18 | — | — | US | disclosed |
| WO-2004011418-A1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORPORATION (US) | 2004-02-05 | — | — | WO | disclosed |
| WO-2003080053-A1 | COMBINATION TREATMENTS FOR CHEMOKINE-MEDIATED DISEASES | SCHERING CORPORATION (US) | 2003-10-02 | — | — | 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 (6 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-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | CCR1, ACKR3, CXCR1 | CYP2D6 1654/4885CYP2C9 2712/4885CYP2C19 2978/4885 |
| US-20040147559-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | CCR1, CXCR1, ACKR3 | CYP2D6 1490/4885CYP2C9 2528/4885CYP2C19 2992/4885 |
| US-20040186142-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands | CXCR1, CCR2, CX3CR1 | CYP2D6 631/4885CYP2C9 352/4885CYP2C19 615/4885 |
| US-20040053953-A1 | Treatment of chemokine mediated diseases | CCR1, CXCR3, CCL11 | CYP2D6 1287/4885CYP2C9 1752/4885CYP2C19 2173/4885 |
| US-20040097547-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | CCR1, CXCR1, ACKR3 | CYP2D6 1490/4885CYP2C9 2528/4885CYP2C19 2992/4885 |
| US-20040106794-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | CCR1, CXCR1, ACKR3 | CYP2D6 1490/4885CYP2C9 2528/4885CYP2C19 2992/4885 |
“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.