SCHEMBL4973643

SCHEMBL4973643

CNCC(=O)NN(C(=O)CC(C)C)[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MEP1B Q16820 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
MLNR O43193 1/20 0.39
ABCB11 O95342 1/20 0.39
CTSD P07339 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
CNR1 P21554 1/20 0.39
TBXAS1 P24557 1/20 0.39
ADRA1A P35348 1/20 0.39
HTT P42858 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4975152 0.96 ALDH1A1 (0.47) SPPL2AALDH1A1LMNAMAPTGAA
SCHEMBL4972243 0.95 SPPL2A (0.41) SPPL2AALDH1A1MEP1BLMNAMAPT
SCHEMBL4974350 0.93 MEP1B (0.43) SPPL2AALDH1A1MEP1BLMNAMAPT
SCHEMBL5024924 0.93 SPPL2A (0.42) SPPL2AALDH1A1MEP1BLMNAMAPT
SCHEMBL4974836 0.92 SPPL2A (0.44) SPPL2AALDH1A1MEP1BLMNAMAPT
SCHEMBL4971698 0.91 ALDH1A1 (0.44) SPPL2AALDH1A1LMNAMAPTGAA
SCHEMBL4971558 0.91 ALDH1A1 (0.42) SPPL2AALDH1A1MEP1BLMNAMAPT
SCHEMBL5031156 0.91 SPPL2A (0.40) SPPL2AALDH1A1MEP1BLMNAMAPT
SCHEMBL4972909 0.91 SPPL2A (0.40) SPPL2AALDH1A1MEP1BLMNAMAPT
SCHEMBL4974821 0.90 ALDH1A1 (0.45) SPPL2AALDH1A1MEP1BLMNAMAPT

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-10-30 US claimed
US-6316496-B1 FOR THERAPY OF RETROVIRAL INFECTION; PROPHYLAXIS OF REPLICATION OF RETROVIRUS, THERAPY OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) G. D. SEARLE & CO. 2001-11-13 US claimed
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 EP claimed
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-20050227926-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-10-13 US disclosed
US-6861539-B1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-03-01 US disclosed
US-6683210-B2 HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS, HUMAN IMMUNODEFICIENCY VIRUS, AND LYMPHADENOPATHY ASSOCIATED VIRUS TREATMENT G. D. SEARLE & CO. 2004-01-27 US disclosed
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-10-30 US disclosed
US-6388132-B1 AIDS THERAPY G. D. SEARLE & CO. 2002-05-14 US disclosed
EP-1188766-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. Searle & Co. (US) 2002-03-20 EP disclosed
US-6316496-B1 FOR THERAPY OF RETROVIRAL INFECTION; PROPHYLAXIS OF REPLICATION OF RETROVIRUS, THERAPY OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) G. D. SEARLE & CO. 2001-11-13 US disclosed
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 EP disclosed
US-6150556-A INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) PROTEASE; PROPHYLAXIS AND THERAPY OF RETROVIRUS INFECTIONS G. D. DEARLE & CO. (US) 2000-11-21 US disclosed
US-6143788-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 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.

PatentTitleText reads most aboutPredicted 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 SPPL2A 197/4885ALDH1A1 1286/4885MEP1B 305/4885
US-20050227926-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885ALDH1A1 3909/4885MEP1B 304/4885
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885ALDH1A1 3909/4885MEP1B 304/4885

“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.