SCHEMBL4973149

SCHEMBL4973149

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.69
ALDH1A1 P00352 3/20 0.53
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
LMNA P02545 3/20 0.48
MEP1B Q16820 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
MLNR O43193 1/20 0.46
ABCB11 O95342 1/20 0.46
CTSD P07339 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46

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
SCHEMBL4787816 1.00 SPPL2A (0.69) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL4911178 0.97 SPPL2A (0.66) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL464764 0.91 SPPL2A (0.59) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL6061183 0.91 SPPL2A (0.59) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL12156755 0.87 SPPL2A (0.67) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL5983203 0.87 SPPL2A (0.67) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL4906010 0.86 ALDH1A1 (0.53) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL4911572 0.86 ALDH1A1 (0.53) SPPL2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL14216612 0.86 SPPL2A (0.55) SPPL2ALMNAMLNRABCB11CTSD
SCHEMBL4911183 0.85 SPPL2A (0.50) SPPL2AALDH1A1PSEN1PSEN2APH1B

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 US disclosed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
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-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 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
EP-0815124-B1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2002-12-04 EP disclosed
US-6458785-B1 AIDS THERAPY G. D. SEARLE 2002-10-01 US disclosed
US-6407134-B1 VIRICIDE FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS G. D. SEARLE & CO. 2002-06-18 US disclosed
US-6388132-B1 AIDS THERAPY G. D. SEARLE & CO. 2002-05-14 US disclosed
US-6310080-B1 TREATING RETROVIRAL INFECTIONS SUCH AS AIDS G. D. SEARLE & CO. 2001-10-30 US disclosed
US-6172101-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US 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-5972989-A Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 1999-10-26 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 (2 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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP SPPL2A 636/4885ALDH1A1 2674/4885PSEN1 208/4885
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885ALDH1A1 3909/4885PSEN1 252/4885

“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.