SCHEMBL2581847

SCHEMBL2581847

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
KMT2A Q03164 3/20 0.43
FPR2 P25090 2/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
ENPEP Q07075 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL5382170 1.00 ALDH1A1 (0.56) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL30136924 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL8356951 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL21186371 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL2490744 0.83 NPSR1 (0.46) ALDH1A1CA2CA1MAPK1
SCHEMBL5397200 0.83 NPSR1 (0.46) ALDH1A1CA2CA1MAPK1
SCHEMBL23408841 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL5967193 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL5967189 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL12205277 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1CA2CA1KMT2A

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 40 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
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
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-7202258-B2 α- and β-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-10 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
US-6211176-B1 AIDS TREATMENT G. D. SEARLE & CO. 2001-04-03 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

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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP ALDH1A1 1555/4885L3MBTL1 1142/4885CA2 2248/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP ALDH1A1 1555/4885L3MBTL1 1142/4885CA2 2248/4885

“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.