Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 8/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | OGA | O60502 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15157247 | 1.00 | PDE2A (0.42) | PDE2ASLC6A4KIF11GPR55CTNNB1 | |
| SCHEMBL10202755 | 0.83 | PDE2A (0.44) | PDE2AKIF11GPR55CTNNB1WNT3A | |
| SCHEMBL19464634 | 0.81 | PDE2A (0.43) | PDE2AKIF11GPR55CTNNB1WNT3A | |
| SCHEMBL20559520 | 0.81 | GPR55 (0.43) | PDE2AKIF11GPR55CTNNB1WNT3A | |
| SCHEMBL3669583 | 0.81 | GPR55 (0.43) | PDE2AKIF11GPR55CTNNB1WNT3A | |
| SCHEMBL26923489 | 0.81 | GPR55 (0.43) | PDE2AKIF11GPR55CTNNB1WNT3A | |
| SCHEMBL26923670 | 0.80 | PDE2A (0.45) | PDE2AGPR55CTNNB1WNT3AOGA | |
| SCHEMBL16563297 | 0.80 | PDE2A (0.45) | PDE2AGPR55CTNNB1WNT3AOGA | |
| Hydrochloric Acid SCHEMBL31461346 | 0.79 | GPR55 (0.42) | PDE2AKIF11GPR55CTNNB1WNT3A | |
| Hydrochloric Acid SCHEMBL16989251 | 0.79 | GPR55 (0.42) | PDE2AKIF11GPR55CTNNB1WNT3A |
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 20 patents. 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 |
| 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-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-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-7691856-B2 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-04-06 | — | — | 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 |
| US-7671212-B2 | Isothiazole dioxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |
| EP-1818325-B1 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORP (US) | 2010-02-24 | — | — | EP | disclosed |
| US-20090306079-A1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORPORATION | 2009-12-10 | — | — | US | disclosed |
| US-20090306079-A1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORPORATION | 2009-12-10 | — | — | US | disclosed |
| EP-1551818-B1 | THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORP (US) | 2009-02-04 | — | — | EP | disclosed |
| US-7338968-B2 | Thiadiazoles AS CXC- and CC- chemokine receptor ligands | SCHERING CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION | 2007-11-15 | — | — | US | disclosed |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION | 2007-11-15 | — | — | US | disclosed |
| EP-1818325-A2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2007-08-15 | — | — | EP | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
| EP-0424125-A2 | Aralkylamine derivatives, preparation method thereof and fungicides containing the same | UBE INDUSTRIES, LTD. (JP) | 1991-04-24 | — | — | EP | 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 (4 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 | PDE2A 1559/4885SLC6A4 4197/4885KIF11 3495/4885 |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | CCR1, ACKR3, CXCR1 | PDE2A 1559/4885SLC6A4 4197/4885KIF11 3495/4885 |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | CXCR1, CCR2, CX3CR1 | PDE2A 2440/4885SLC6A4 3169/4885KIF11 2773/4885 |
| US-20090306079-A1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | CCR1, ACKR3, CXCR1 | PDE2A 1559/4885SLC6A4 4197/4885KIF11 3495/4885 |
“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.