Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9998597 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP3A4CYP2C9TRPA1 | |
| SCHEMBL9998101 | 0.89 | TRPA1 (0.48) | CYP1A2CYP2C19CYP3A4CYP2C9TRPA1 | |
| SCHEMBL9998103 | 0.89 | TRPA1 (0.48) | CYP1A2CYP2C19CYP3A4CYP2C9TRPA1 | |
| SCHEMBL9997239 | 0.84 | CYP1A2 (0.35) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9997714 | 0.84 | P2RX7 (0.37) | CYP1A2CYP3A4ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL9997719 | 0.84 | P2RX7 (0.37) | CYP1A2CYP3A4ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL9997241 | 0.84 | CYP1A2 (0.35) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9998127 | 0.83 | POLB (0.38) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9998020 | 0.83 | NLRP3 (0.33) | CYP1A2CYP3A4L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL9998125 | 0.83 | POLB (0.38) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8558012-B2 | 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2013-10-15 | — | — | US | disclosed |
| US-20110319637-A1 | 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2011-12-29 | — | — | 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 (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-20110319637-A1 | 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME | CBR1, CYP1B1, CYP2F1 | CYP1A2 19/4885CYP2C19 85/4885CYP3A4 36/4885 |
“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.