SCHEMBL2490744

SCHEMBL2490744

CC(C)[C@H](NC(=O)CN(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
SDCBP O00560 3/20 0.43
SDC2 P34741 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
MBTPS1 Q14703 1/20 0.40
EPHX2 P34913 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 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
SCHEMBL5397200 1.00 NPSR1 (0.46) NPSR1SDCBPSDC2ALDH1A1SMN1; SMN2
SCHEMBL5382170 0.83 ALDH1A1 (0.56) ALDH1A1CA2CA1MAPK1
SCHEMBL2581847 0.83 ALDH1A1 (0.56) ALDH1A1CA2CA1MAPK1
SCHEMBL25663370 0.82 CNR2 (0.36) NPSR1
SCHEMBL4937559 0.81 ALDH1A1 (0.44) NPSR1SDCBPSDC2ALDH1A1SMN1; SMN2
SCHEMBL4937544 0.81 ALDH1A1 (0.44) NPSR1SDCBPSDC2ALDH1A1SMN1; SMN2
SCHEMBL30455965 0.81 MMP1 (0.39)
Hydrochloric Acid SCHEMBL4936603 0.79 ALDH1A1 (0.43) NPSR1SDCBPSDC2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4936590 0.79 ALDH1A1 (0.43) NPSR1SDCBPSDC2ALDH1A1SMN1; SMN2
SCHEMBL23408869 0.79 ALDH1A1 (0.49) NPSR1SDCBPSDC2ALDH1A1SMN1; SMN2

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 43 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-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 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
EP-2379589-A2 COMPOUNDS, COMPOSITIONS AND USE Universitetet I Oslo (NO) 2011-10-26 EP disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
WO-2010073009-A2 COMPOUNDS, COMPOSITIONS AND USE UNIVERSITETET I OSLO (NO) 2010-07-01 WO 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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-7232817-B2 α- and β-amino acid hydroxyethlamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-06-19 US disclosed
US-6172082-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US disclosed
US-6156768-A Alpha- and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 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-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 US disclosed
US-5843946-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-12-01 US disclosed
US-5830897-A AIDS THERAPY G. D. SEARLE & CO. (US) 1998-11-03 US disclosed
US-5786483-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-07-28 US disclosed
US-5744481-A β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP 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 (1 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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP NPSR1 1733/4885SDCBP 2183/4885SDC2 2416/4885

“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.