Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL9998129 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2C9TSHRLTB4RLTB4R2 | |
| SCHEMBL9997453 | 0.93 | HDAC4 (0.42) | CYP3A4CYP2C9TSHRLTB4RLTB4R2 | |
| SCHEMBL9997451 | 0.93 | HDAC4 (0.42) | CYP3A4CYP2C9TSHRLTB4RLTB4R2 | |
| SCHEMBL9997711 | 0.90 | TSHR (0.42) | CYP3A4CYP2C9TSHRLTB4RLTB4R2 | |
| SCHEMBL9997710 | 0.90 | TSHR (0.42) | CYP3A4CYP2C9TSHRLTB4RLTB4R2 | |
| SCHEMBL9998379 | 0.89 | CYP4F2 (0.37) | CYP3A4CYP2C9LTB4RLTB4R2PTGES | |
| SCHEMBL9998380 | 0.89 | CYP4F2 (0.37) | CYP3A4CYP2C9LTB4RLTB4R2PTGES | |
| SCHEMBL9997718 | 0.88 | TSHR (0.42) | CYP3A4CYP2C9TSHRPOLBALDH1A1 | |
| SCHEMBL9997716 | 0.88 | TSHR (0.42) | CYP3A4CYP2C9TSHRPOLBALDH1A1 | |
| SCHEMBL9997924 | 0.88 | CYP4F2 (0.36) | PTGESALOX5PPARGALDH1A1SMN1; SMN2 |
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 | CYP3A4 36/4885CYP2C9 28/4885TSHR 621/4885 |
“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.