Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LAP3 | P28838 | 3/20 | 0.41 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.41 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286637 | 0.83 | CSNK1E (0.51) | TRPA1CYP2D6ANPEPERAP2BCHE | |
| SCHEMBL1286638 | 0.83 | CSNK1E (0.51) | TRPA1CYP2D6ANPEPERAP2BCHE | |
| SCHEMBL1057036 | 0.83 | CSNK1E (0.51) | TRPA1CYP2D6ANPEPERAP2BCHE | |
| SCHEMBL8336728 | 0.83 | TRPA1 (0.45) | TRPA1ANPEPERAP2BCHETAAR1 | |
| SCHEMBL7115349 | 0.82 | ANPEP (0.48) | TRPA1ANPEPERAP2TAAR1SIGMAR1 | |
| SCHEMBL12050572 | 0.82 | BCHE (0.50) | BCHETAAR1SIGMAR1SLC18A2 | |
| SCHEMBL15705190 | 0.82 | BCHE (0.50) | BCHETAAR1SIGMAR1SLC18A2 | |
| Hydrochloric Acid SCHEMBL5223863 | 0.82 | CSNK1E (0.50) | TRPA1CYP2D6ANPEPERAP2BCHE | |
| SCHEMBL12050565 | 0.82 | BCHE (0.50) | BCHETAAR1SIGMAR1SLC18A2 | |
| Hydrochloric Acid SCHEMBL8734228 | 0.82 | CSNK1E (0.50) | TRPA1CYP2D6ANPEPERAP2BCHE |
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 |
|---|---|---|---|---|---|---|---|
| US-8835684-B2 | Preparation of 2R,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | AMPAC FINE CHEMICALS LLC (US) | 2014-09-16 | — | — | US | disclosed |
| US-8829208-B2 | Process for the preparation of darunavir and darunavir intermediates | MAPI PHARMA LTD. (IL) | 2014-09-09 | — | — | US | disclosed |
| US-20120296101-A1 | PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES | MAPI PHARMA LIMITED (IL) | 2012-11-22 | — | — | US | disclosed |
| US-20100286444-A1 | PREPARATION OF 2R,3S-N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE HYDROCHLORIDE AND OTHER DERIVATIVES OF 2-HYDROXY-1,3-DIAMINES | AMPAC FINE CHEMICALS LLC (US) | 2010-11-11 | — | — | US | disclosed |
| US-7807850-B2 | reacting chloromethylalcohol with sulfonamide, heating; protease inhibitors; high yield without sacrificing purity, without need to isolate Boc-epoxide, improving safety involved with dust explosivity | AMPAC FINE CHEMICALS LLC (US) | 2010-10-05 | — | — | US | disclosed |
| WO-2010077317-A2 | PROTEASE INHIBITORS | AMPLYX PHARMACEUTICALS, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| US-20080312469-A1 | reacting chloromethylalcohol with sulfonamide, heating; protease inhibitors; high yield without sacrificing purity, without need to isolate Boc-epoxide, improving safety involved with dust explosivity | AMPAC FINE CHEMICALS LLC (US) | 2008-12-18 | — | — | US | disclosed |
| US-7414144-B2 | High yield and purity production of protease inhibitor intermediates; lower temperature; eliminates epoxide step, material handling losses and dust explosion issues | AEROJET FINE CHEMICALS LLC (US) | 2008-08-19 | — | — | US | disclosed |
| EP-0933372-B1 | Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors | VERTEX PHARMA (US) | 2007-12-26 | — | — | 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-20100286444-A1 | PREPARATION OF 2R,3S-N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE HYDROCHLORIDE AND OTHER DERIVATIVES OF 2-HYDROXY-1,3-DIAMINES | CYP2S1, CYP8B1, HACL2 | TRPA1 2654/4885CYP2D6 372/4885ANPEP 828/4885 |
| US-20080312469-A1 | reacting chloromethylalcohol with sulfonamide, heating; protease inhibitors; high yield without sacrificing purity, without need to isolate Boc-epoxide, improving safety involved with dust explosivity | PRSS2, PRSS3, SPINT2 | TRPA1 939/4885CYP2D6 1060/4885ANPEP 23/4885 |
| US-20120296101-A1 | PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES | CYP3A43, CYP3A4, DHPS | TRPA1 4772/4885CYP2D6 12/4885ANPEP 412/4885 |
“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.