Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.48 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2576409 | 0.98 | ALDH1A1 (0.50) | ALDH1A1MEP1BLMNAMAPTGAA | |
| SCHEMBL2576422 | 0.85 | MMP2 (0.48) | ALDH1A1LMNAMAPTGAAHTT | |
| SCHEMBL2575811 | 0.82 | TAS2R14 (0.49) | TAS2R14KMT2ASPPL2A | |
| SCHEMBL4911178 | 0.81 | SPPL2A (0.66) | ALDH1A1MEP1BLMNAMAPTGAA | |
| SCHEMBL2578865 | 0.80 | MMP13 (0.48) | TAS2R14SPPL2A | |
| SCHEMBL2582404 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MEP1BLMNAMAPTGAA | |
| SCHEMBL2585363 | 0.79 | MLNR (0.50) | LMNATAS2R14SPPL2A | |
| SCHEMBL2578170 | 0.79 | SPPL2A (0.48) | LMNATAS2R14SPPL2APOLB | |
| SCHEMBL4787816 | 0.78 | SPPL2A (0.69) | ALDH1A1MEP1BLMNAMAPTGAA | |
| SCHEMBL4973149 | 0.78 | SPPL2A (0.69) | ALDH1A1MEP1BLMNAMAPTGAA |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080118969-A1 | BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE LLC (US) | 2008-05-22 | — | — | US | disclosed |
| US-7339078-B2 | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2008-03-04 | — | — | US | disclosed |
| US-20070037754-A1 | Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide | G.D. SEARLE & CO. (US) | 2007-02-15 | — | — | US | disclosed |
| US-7161033-B2 | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 2007-01-09 | — | — | US | disclosed |
| US-20070004646-A1 | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2007-01-04 | — | — | US | disclosed |
| US-7141594-B2 | inhibitors of HIV protease for treating AIDS | G. D. SEARLE & CO. (US) | 2006-11-28 | — | — | US | disclosed |
| US-20060264483-A1 | Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2006-11-23 | — | — | US | disclosed |
| US-20060240410-A1 | Retroviral protease inhibitor combinations | G.D. SEARLE & CO. (US) | 2006-10-26 | — | — | US | disclosed |
| US-7098202-B2 | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 2006-08-29 | — | — | US | disclosed |
| US-20060189611-A1 | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2006-08-24 | — | — | US | disclosed |
| US-6143788-A | ENZYME INHIBITORS | G.D. SEARLE & CO. (US) | 2000-11-07 | — | — | US | disclosed |
| US-6140505-A | REACTING A BENZO FUSED HETEROCYCLIC COMPOUND WITH AN SO3 COMPLEX IN THE PRESENCE OF A WATER IMMISCIBLE, NON-REACTIVE SOLVENT, AT A TEMPERATURE OF FROM ABOUT 0 TO ABOUT 75 DEGREES C., COOLING AND THEN ADDING OXALYL HALIDE. | G. D. SEARLE & CO. (US) | 2000-10-31 | — | — | US | disclosed |
| US-6100277-A | ADMINISTERING MIXTURE OF FIRST AND SECOND RETROVIRAL PROTEASE INHIBITOR WHEREIN SAID SECOND RETROVIRAL PROTEASE INHIBITOR IS EFFECTIVE AGAINST VIRAL STRAIN(S) RESISTANT TO FIRST INHIBITOR | G.D. SEARLE & CO. (US) | 2000-08-08 | — | — | US | disclosed |
| US-6063795-A | ENZYME INHIBITORS | G.D. SEARLE & COMPANY (US) | 2000-05-16 | — | — | US | disclosed |
| US-5985870-A | TREATING HIV INFECTIONS | G.D. SEARLE & CO. (US) | 1999-11-16 | — | — | US | disclosed |
| US-5972989-A | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1999-10-26 | — | — | US | disclosed |
| US-5968970-A | TREATMENT OF HIV | G. D. SEARLE & COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5965601-A | NOVEL COMPOUNDS FOR INHIBITING REPLICATION OF A RETROVIRUS; TREATING HIV | G. D. SEARLE & CO. (US) | 1999-10-12 | — | — | US | disclosed |
| WO-1996028418-A1 | SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-09-19 | — | — | WO | disclosed |
| WO-1996028463-A1 | AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-09-19 | — | — | 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 (4 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-20070037754-A1 | Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide | DNPEP, PREP, ANPEP | ALDH1A1 1286/4885MEP1B 305/4885LMNA 678/4885 |
| US-20070004646-A1 | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | DNPEP, PREP, ANPEP | ALDH1A1 3417/4885MEP1B 405/4885LMNA 3268/4885 |
| US-20060264483-A1 | Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors | DNPEP, PREP, PRSS1 | ALDH1A1 3190/4885MEP1B 352/4885LMNA 3635/4885 |
| US-20060189611-A1 | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | DNPEP, PREP, ANPEP | ALDH1A1 3732/4885MEP1B 251/4885LMNA 3869/4885 |
“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.