Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ASPH | Q12797 | 2/20 | 0.38 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.38 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 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 | |
|---|---|---|---|---|
| SCHEMBL7596118 | 0.83 | KEAP1 (0.42) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL503374 | 0.79 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL29816825 | 0.79 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| Fluoride SCHEMBL6445071 | 0.79 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| Fluoride SCHEMBL28471027 | 0.79 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL27875674 | 0.77 | HSD17B10 (0.41) | KEAP1NFE2L2KDM4EMAP2K1TPMT | |
| SCHEMBL10455356 | 0.77 | KEAP1 (0.45) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL10455293 | 0.77 | KEAP1 (0.45) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL10455362 | 0.77 | KEAP1 (0.45) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL10455376 | 0.77 | KEAP1 (0.45) | KEAP1NFE2L2CES2CES1KDM4E |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | claimed |
| US-6160171-A | Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same | UBE INDUSTRIES, LTD. (JP) | 2000-12-12 | — | — | US | claimed |
| EP-0968994-A1 | SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2000-01-05 | — | — | EP | claimed |
| EP-3971191-A1 | BORON-CONTAINING SMALL MOLECULES | Bill And Melinda Gates Foundation (US) | 2022-03-23 | — | — | EP | disclosed |
| CN-113563368-A | Boron-containing small molecules | 比尔及梅琳达盖茨基金会 | 2021-10-29 | — | — | CN | disclosed |
| CN-113321672-A | Boron-containing small molecules | 比尔及梅琳达盖茨基金会 | 2021-08-31 | — | — | CN | disclosed |
| EP-3423065-B1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS INC (US) | 2021-07-21 | — | — | EP | disclosed |
| US-11040966-B2 | Benzimidazole-proline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2021-06-22 | — | — | US | disclosed |
| CN-109195608-B | Boron-containing small molecules | 比尔及梅琳达盖茨基金会 | 2021-05-11 | — | — | CN | disclosed |
| US-10919916-B2 | Boron-containing small molecules | BILL & MELINDA GATES FOUNDATION (US) | 2021-02-16 | — | — | US | disclosed |
| US-20200247827-A1 | BORON-CONTAINING SMALL MOLECULES | BILL & MELINDA GATES FOUNDATION (US) | 2020-08-06 | — | — | US | disclosed |
| CN-104334544-A | Benzimidazole-proline derivatives | ACTELION PHARMACEUTICALS LTD | 2015-02-04 | — | — | CN | disclosed |
| WO-2013182972-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-12-12 | — | — | WO | disclosed |
| WO-2013050938-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-11 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6307091-B1 | TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. | UBE INDUSTRIES, LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| US-6160171-A | Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same | UBE INDUSTRIES, LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0968994-A1 | SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2000-01-05 | — | — | 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 (3 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-11040966-B2 | Benzimidazole-proline derivatives | HCRTR1, HCRTR2, NPY1R | KEAP1 2788/4885NFE2L2 2867/4885CES2 3098/4885 |
| US-10919916-B2 | Boron-containing small molecules | BCL6B, BLVRB, BTD | KEAP1 2832/4885NFE2L2 2480/4885CES2 1149/4885 |
| US-20200247827-A1 | BORON-CONTAINING SMALL MOLECULES | BCL6B, BLVRB, BTD | KEAP1 2832/4885NFE2L2 2480/4885CES2 1149/4885 |
“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.