SCHEMBL2582265

SCHEMBL2582265

CC(C)CN(C[C@H](O)[CH]Cc1ccccc1)S(=O)(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
SPPL2A Q8TCT8 2/20 0.46
LMNA P02545 5/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2576476 0.93 SPPL2A (0.44) CYP2D6SPPL2ALMNAKMT2APSEN1
SCHEMBL3182310 0.84 SPPL2A (0.66) CYP2D6SPPL2ALMNAKMT2AKDM4E
SCHEMBL19320787 0.84 SPPL2A (0.55) CYP2D6SPPL2ALMNAKMT2AKDM4E
SCHEMBL2576414 0.83 SPPL2A (0.45) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL5077856 0.83 LMNA (0.44) SPPL2ALMNAKMT2AKDM4EALDH1A1
SCHEMBL8479765 0.83 CYP2D6 (0.52) CYP2D6SPPL2ALMNAKMT2AKDM4E
SCHEMBL5863150 0.82 CYP2D6 (0.49) CYP2D6SPPL2ALMNAKMT2AKDM4E
SCHEMBL5077797 0.82 LMNA (0.42) SPPL2ALMNAKMT2AKDM4EALDH1A1
SCHEMBL27744809 0.81 SPPL2A (0.50) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL2576483 0.81 SPPL2A (0.35) CYP2D6SPPL2APSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US claimed
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
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-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
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 EP disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 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-6046190-A FOR INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-5972989-A Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (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
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP 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
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 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 (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-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 CYP2D6 2256/4885SPPL2A 197/4885LMNA 678/4885
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP CYP2D6 3871/4885SPPL2A 180/4885LMNA 2536/4885

“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.