Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.40 |
| ▸ | SLC13A2 | Q13183 | 1/20 | 0.40 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SELL | P14151 | 1/20 | 0.37 |
| ▸ | SELP | P16109 | 1/20 | 0.37 |
| ▸ | SELE | P16581 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31596393 | 1.00 | KDM4E (0.40) | KDM4ESLC13A5SLC13A2SLC13A3ATM | |
| SCHEMBL12093552 | 0.77 | NOS3 (0.48) | SLC13A5SLC13A2SLC13A3MKNK1MKNK2 | |
| SCHEMBL29823245 | 0.77 | NOS3 (0.48) | SLC13A5SLC13A2SLC13A3MKNK1MKNK2 | |
| SCHEMBL15774729 | 0.77 | MAPK1 (0.47) | KDM4EMAPTCASP1AURKATTK | |
| SCHEMBL17419230 | 0.77 | MAPT (0.35) | CYP3A4MAPTCASP1AURKATTK | |
| SCHEMBL34470791 | 0.77 | POLQ (0.37) | CYP3A4MAPTCASP1AURKATTK | |
| SCHEMBL10084731 | 0.76 | ACHE (0.44) | SLC13A5SLC13A2SLC13A3ACHEMKNK1 | |
| SCHEMBL1542626 | 0.75 | SLC13A5 (0.38) | KDM4ESLC13A5SLC13A2SLC13A3ATM | |
| SCHEMBL12903271 | 0.74 | SLC13A5 (0.37) | SLC13A5SLC13A2SLC13A3MKNK1MKNK2 | |
| SCHEMBL4150226 | 0.74 | PIK3CA (0.45) | SLC13A5SLC13A2SLC13A3MKNK1MKNK2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3309152-B1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMA (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-2516417-B1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMA (US) | 2017-10-11 | — | — | EP | disclosed |
| US-20170260175-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2017-09-14 | — | — | US | disclosed |
| US-9676759-B2 | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-06-13 | — | — | US | disclosed |
| US-9296711-B2 | Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) | HOFFMAN-LA ROCHE INC. (US) | 2016-03-29 | — | — | US | disclosed |
| US-20150307463-A1 | SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) | HOFFMANN-LA ROCHE INC. | 2015-10-29 | — | — | US | disclosed |
| EP-2925751-A1 | SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) | F. Hoffmann-La Roche AG (CH) | 2015-10-07 | — | — | EP | disclosed |
| EP-2590944-B1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |
| WO-2014086704-A1 | SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-12 | — | — | WO | disclosed |
| US-20140038936-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2014-02-06 | — | — | US | disclosed |
| US-8575158-B2 | 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-11-05 | — | — | US | disclosed |
| US-8466288-B2 | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-18 | — | — | US | disclosed |
| EP-2590944-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2013-05-15 | — | — | EP | disclosed |
| US-20130109685-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-05-02 | — | — | US | disclosed |
| US-20120202784-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-09 | — | — | US | disclosed |
| WO-2012004722-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-01-12 | — | — | WO | disclosed |
| EP-1477186-B1 | ANTIPRURITICS | SHIONOGI & CO (JP) | 2009-11-11 | — | — | 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 (5 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-20140038936-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | PIK3CD, PIK3CA, PIK3R5 | KDM4E 2889/4885SLC13A5 4732/4885SLC13A2 4760/4885 |
| US-20150307463-A1 | SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) | SCD, SCD5, CPT1A | KDM4E 797/4885SLC13A5 1713/4885SLC13A2 1643/4885 |
| US-20120202784-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | PIK3CD, PIK3CA, PIK3R5 | KDM4E 2889/4885SLC13A5 4732/4885SLC13A2 4760/4885 |
| US-20130109685-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | PTGER1, PTGDR, PTGDR2 | KDM4E 3620/4885SLC13A5 3701/4885SLC13A2 3592/4885 |
| US-20170260175-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | PIK3CD, PIK3CA, PIK3R5 | KDM4E 2889/4885SLC13A5 4732/4885SLC13A2 4760/4885 |
“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.