Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14677007 | 0.89 | HDAC3 (0.39) | AOC3HDAC3HDAC1HDAC2NLRP3 | |
| SCHEMBL13034065 | 0.88 | NLRP3 (0.38) | HDAC3HDAC1HDAC2IRAK4NLRP3 | |
| SCHEMBL3431890 | 0.84 | AOC3 (0.41) | AOC3HDAC3HDAC1HDAC2IRAK4 | |
| SCHEMBL15132111 | 0.84 | — | — | |
| SCHEMBL3431892 | 0.82 | HDAC3 (0.38) | AOC3HDAC3HDAC1HDAC2IRAK4 | |
| SCHEMBL3238105 | 0.82 | ALDH1A1 (0.57) | AOC3HDAC3HDAC1HDAC2IRAK4 | |
| SCHEMBL24409030 | 0.81 | AOC3 (0.38) | AOC3HDAC3HDAC1HDAC2IRAK4 | |
| SCHEMBL10257415 | 0.81 | AOC3 (0.43) | AOC3HDAC3HDAC1HDAC2IRAK4 | |
| SCHEMBL399191 | 0.81 | HDAC3 (0.37) | AOC3HDAC3HDAC1HDAC2GRM5 | |
| SCHEMBL12352115 | 0.81 | HDAC3 (0.39) | AOC3HDAC3HDAC1HDAC2IRAK4 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6147233-A | Process for the preparation of 3-methyltetrahydrofuran | EASTMAN CHEMICAL COMPANY (US) | 2000-11-14 | — | — | US | claimed |
| EP-3786165-A1 | SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019065283-A1 | PYRIDAZINONE COMPOUND OR SALT THEREOF AND HERBICIDE CONTAINING SAME | 石原産業株式会社 | 2019-04-04 | — | — | WO | disclosed |
| US-9802939-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-31 | — | — | US | disclosed |
| US-20150112058-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-04-23 | — | — | US | disclosed |
| EP-1917269-B1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMA (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| US-20100210603-A1 | NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | TUNG ROGER D | 2010-08-19 | — | — | US | disclosed |
| US-20100210603-A1 | NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | TUNG ROGER D | 2010-08-19 | — | — | US | disclosed |
| US-7608632-B2 | Sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-27 | — | — | US | disclosed |
| US-7608632-B2 | Sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-27 | — | — | US | disclosed |
| US-20080293727-A1 | Novel sulfonamide inhibitors of aspartyl protease | TUNG ROGER D | 2008-11-27 | — | — | US | disclosed |
| US-20080293727-A1 | Novel sulfonamide inhibitors of aspartyl protease | TUNG ROGER D | 2008-11-27 | — | — | US | disclosed |
| US-7321063-B2 | Sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-22 | — | — | US | disclosed |
| US-7321063-B2 | Sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-22 | — | — | US | disclosed |
| WO-2004007418-A1 | A PROCESS FOR THE PREPARATION OF 2-ACETOXYMETHYL-4 HALO-BUT-1-YL ACETATES | RECORDATI S.A. (CH) | 2004-01-22 | — | — | WO | disclosed |
| US-6147233-A | Process for the preparation of 3-methyltetrahydrofuran | EASTMAN CHEMICAL COMPANY (US) | 2000-11-14 | — | — | 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 (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-20150112058-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | AOC3 1729/4885HDAC3 990/4885HDAC1 815/4885 |
| US-20100210603-A1 | NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | SPINT2, PRSS1, DNPEP | AOC3 4562/4885HDAC3 990/4885HDAC1 775/4885 |
| US-20080293727-A1 | Novel sulfonamide inhibitors of aspartyl protease | SPINT2, PRSS1, DNPEP | AOC3 4562/4885HDAC3 990/4885HDAC1 775/4885 |
“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.