Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24006621 | 0.83 | CES2 (0.47) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL27883282 | 0.83 | CES2 (0.50) | KEAP1CES2CES1TTRANO1 | |
| SCHEMBL1150930 | 0.81 | KEAP1 (0.59) | KEAP1CES2CES1MEN1KMT2A | |
| SCHEMBL30762574 | 0.81 | KEAP1 (0.59) | KEAP1CES2CES1MEN1KMT2A | |
| SCHEMBL29463969 | 0.80 | CES2 (0.52) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL2584947 | 0.79 | CES2 (0.47) | KEAP1CES2CES1KMT2ATTR | |
| SCHEMBL31448305 | 0.79 | CES2 (0.47) | KEAP1CES2CES1KMT2ATTR | |
| SCHEMBL28423060 | 0.79 | CES2 (0.47) | KEAP1CES2CES1TTRANO1 | |
| SCHEMBL31373249 | 0.78 | MAP2K2 (0.41) | PARP1DGAT1IKBKBMEN1KMT2A | |
| SCHEMBL29537903 | 0.78 | CES2 (0.68) | KEAP1CES2CES1PARP1DGAT1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3429994-B1 | 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER | MISSION THERAPEUTICS LTD (GB) | 2021-06-16 | — | — | EP | disclosed |
| CN-105294597-B | Benzothiazine derivatives and its synthetic method and application | 华东师范大学 | 2017-11-24 | — | — | CN | disclosed |
| WO-2017158388-A1 | 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER | MISSION THERAPEUTICS LIMITED (GB) | 2017-09-21 | — | — | WO | disclosed |
| CN-105294597-A | Benzothiazine derivative, and synthetic method and application thereof | UNIV EAST CHINA NORMAL | 2016-02-03 | — | — | CN | disclosed |
| EP-2493303-A1 | 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | Merck Sharp & Dohme Corp. (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20120214847-A1 | 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2012-08-23 | — | — | US | disclosed |
| US-20120214847-A1 | 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2012-08-23 | — | — | US | disclosed |
| WO-2011053574-A1 | 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F] INDAZOL-5-YL] ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2011-05-05 | — | — | WO | disclosed |
| WO-2011053574-A1 | 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F] INDAZOL-5-YL] ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2011-05-05 | — | — | WO | 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-20120214847-A1 | 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | NR3C1, NR3C2, NR5A1 | KEAP1 1928/4885CES2 4577/4885CES1 1824/4885 |
“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.