Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL896142 | 1.00 | CYP2A6 (0.47) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL1402232 | 0.97 | — | — | |
| SCHEMBL8115277 | 0.73 | TRPA1 (0.41) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL4451452 | 0.73 | GABRA1 (0.56) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL5186807 | 0.73 | GABRA1 (0.46) | CYP2A6CYP1A2ALDH1A1TDP1CYP3A4 | |
| Fluoride SCHEMBL946250 | 0.73 | TRPA1 (0.46) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| Fluoride SCHEMBL6232004 | 0.73 | TRPA1 (0.46) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL1845749 | 0.71 | TRPA1 (0.44) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| Fluoride SCHEMBL1335989 | 0.71 | TSHR (0.53) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| Fluoride SCHEMBL4456415 | 0.71 | TSHR (0.53) | CYP2A6CYP1A2ACHETSHRALDH1A1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9365471-B2 | Substituted phenylsulfur trifluoride and other like fluorinating agents | UBE INDUSTRIES, LTD. (JP) | 2016-06-14 | — | — | US | claimed |
| EP-2046735-B1 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS | UBE INDUSTRIES (JP) | 2015-05-06 | — | — | EP | claimed |
| US-20140235898-A1 | Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents | UBE INDUSTRIES, LTD. (JP) | 2014-08-21 | — | — | US | claimed |
| US-8710270-B2 | Substituted phenylsulfur trifluoride and other like fluorinating agents | UBE INDUSTRIES, LTD. (JP) | 2014-04-29 | — | — | US | claimed |
| US-20120083627-A1 | Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent | FLUOROTECH, LLC (US) | 2012-04-05 | — | — | US | claimed |
| US-20110009672-A1 | Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents | IM&T RESEARCH, INC. (US) | 2011-01-13 | — | — | US | claimed |
| EP-2046735-A2 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS | IM&T Research, Inc. (US) | 2009-04-15 | — | — | EP | claimed |
| US-7381846-B2 | E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective | IM&T RESEARCH, INC. (US) | 2008-06-03 | — | — | US | claimed |
| US-20080039660-A1 | E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective | IM&T RESEARCH, INC. (US) | 2008-02-14 | — | — | US | claimed |
| WO-2008013550-A1 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS | IM & T RESEARCH, INC. (US) | 2008-01-31 | — | — | WO | claimed |
| WO-2008014345-A2 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS | IM & T RESEARCH, INC. (US) | 2008-01-31 | — | — | WO | claimed |
| US-7265247-B1 | E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. | IM&T RESEARCH, INC. (US) | 2007-09-04 | — | — | US | claimed |
| US-9365471-B2 | Substituted phenylsulfur trifluoride and other like fluorinating agents | UBE INDUSTRIES, LTD. (JP) | 2016-06-14 | — | — | US | disclosed |
| EP-2046735-B1 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS | UBE INDUSTRIES (JP) | 2015-05-06 | — | — | EP | disclosed |
| US-20140235898-A1 | Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents | UBE INDUSTRIES, LTD. (JP) | 2014-08-21 | — | — | US | disclosed |
| US-8710270-B2 | Substituted phenylsulfur trifluoride and other like fluorinating agents | UBE INDUSTRIES, LTD. (JP) | 2014-04-29 | — | — | US | disclosed |
| US-20080039660-A1 | E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective | IM&T RESEARCH, INC. (US) | 2008-02-14 | — | — | US | disclosed |
| WO-2008013550-A1 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS | IM & T RESEARCH, INC. (US) | 2008-01-31 | — | — | WO | disclosed |
| WO-2008014345-A2 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS | IM & T RESEARCH, INC. (US) | 2008-01-31 | — | — | WO | disclosed |
| US-7265247-B1 | E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. | IM&T RESEARCH, INC. (US) | 2007-09-04 | — | — | 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 (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-20140235898-A1 | Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents | PFAS, FRS2, FBL | CYP2A6 1186/4885CYP1A2 2761/4885ACHE 2236/4885 |
| US-20110009672-A1 | Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents | PFAS, FRS2, FBL | CYP2A6 1186/4885CYP1A2 2761/4885ACHE 2236/4885 |
| US-20120083627-A1 | Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent | AFF2, BRD2, AFF4 | CYP2A6 904/4885CYP1A2 115/4885ACHE 2860/4885 |
| US-20080039660-A1 | E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective | TST, DDT, ESD | CYP2A6 377/4885CYP1A2 1572/4885ACHE 3037/4885 |
“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.