Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 5/20 | 0.50 |
| ▸ | RORC | P51449 | 5/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7450627 | 0.91 | RORC (0.46) | MCL1BCL2L1RORCPSEN1PSEN2 | |
| SCHEMBL8179444 | 0.90 | MCL1 (0.43) | MCL1BCL2L1RORCPSEN1PSEN2 | |
| SCHEMBL7343868 | 0.89 | RORC (0.47) | MCL1BCL2L1RORCPSEN1PSEN2 | |
| SCHEMBL7452491 | 0.87 | KEAP1 (0.50) | MCL1BCL2L1RORCNR1H2 | |
| SCHEMBL7451743 | 0.87 | RORC (0.45) | MCL1BCL2L1RORCLMNAPSEN1 | |
| SCHEMBL7452453 | 0.86 | ALDH1A1 (0.47) | RORCNR1H2LMNAPSEN1PSEN2 | |
| SCHEMBL7447004 | 0.80 | KEAP1 (0.47) | RORCLMNAPOLBHPGDPSEN1 | |
| SCHEMBL7458622 | 0.78 | RORC (0.45) | MCL1BCL2L1RORCNR1H2LMNA | |
| SCHEMBL7257376 | 0.78 | KEAP1 (0.51) | RORCHPGD | |
| SCHEMBL5031155 | 0.77 | RORC (0.40) | RORCALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43802-E1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2012-11-13 | — | — | US | disclosed |
| US-RE42889-E1 | α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2011-11-01 | — | — | US | disclosed |
| US-7141609-B2 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2006-11-28 | — | — | US | disclosed |
| US-20050267171-A1 | Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2005-12-01 | — | — | US | disclosed |
| US-6924286-B1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 2005-08-02 | — | — | US | disclosed |
| US-20030191319-A1 | Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. | 2003-10-09 | — | — | US | disclosed |
| US-6417387-B1 | IN PARTICULAR AS INHIBITORS OF HIV PROTEASE. | G.D. SEARLE & CO. | 2002-07-09 | — | — | US | disclosed |
| US-20020052399-A1 | Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | VAZQUEZ MICHAEL L (US) | 2002-05-02 | — | — | US | disclosed |
| US-6248775-B1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G. D. SEARLE & CO. | 2001-06-19 | — | — | US | disclosed |
| US-5968942-A | INHIBITORS OF HIV PROTEASE | G. D. SEARLE & CO. (US) | 1999-10-19 | — | — | 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-20020052399-A1 | Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | DNPEP, ASPH, PREP | MCL1 1611/4885BCL2L1 2180/4885RORC 3583/4885 |
| US-20050267171-A1 | Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | DNPEP, ASPH, PREP | MCL1 1409/4885BCL2L1 1901/4885RORC 3253/4885 |
| US-20030191319-A1 | Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | DNPEP, ASPH, PREP | MCL1 1611/4885BCL2L1 2180/4885RORC 3583/4885 |
“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.