SCHEMBL4970629

SCHEMBL4970629

CC[C@H](C)CC(=O)N(NC(=O)CNCCOC)[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.39
MEP1B Q16820 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4972908 0.97 ALDH1A1 (0.41) SPPL2AALDH1A1LMNAGAAMAPT
SCHEMBL4975302 0.95 SPPL2A (0.41) SPPL2AMEP1BALDH1A1LMNAGAA
SCHEMBL5024921 0.92 ALDH1A1 (0.43) SPPL2AALDH1A1LMNAGAAMAPT
SCHEMBL4971626 0.91 SPPL2A (0.40) SPPL2AMEP1BALDH1A1LMNAGAA
SCHEMBL5026601 0.91 SPPL2A (0.38) SPPL2ALMNA
SCHEMBL6741163 0.91 MEP1B (0.40) SPPL2AMEP1BALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL4972693 0.90 MEP1B (0.39) SPPL2AMEP1BALDH1A1LMNAGAA
SCHEMBL4972243 0.90 SPPL2A (0.41) SPPL2AMEP1BALDH1A1LMNAGAA
SCHEMBL4973879 0.89 SPPL2A (0.40) SPPL2ALMNA
SCHEMBL4973342 0.89 SPPL2A (0.41) SPPL2A

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 15 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
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
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 197/4885MEP1B 305/4885ALDH1A1 1286/4885
US-20050227926-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885MEP1B 304/4885ALDH1A1 3909/4885
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885MEP1B 304/4885ALDH1A1 3909/4885

“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.