SCHEMBL5402989

SCHEMBL5402989

CN(C)CC(=O)N(CC(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
ADRA1A P35348 2/20 0.31
TSHR P16473 2/20 0.31
CYP2C19 P33261 2/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL13888871 0.83 ALDH1A1 (0.32)
SCHEMBL16172025 0.74 TDP1 (0.39) TDP1EYA2APPACEPHF8
SCHEMBL21778 0.72
SCHEMBL716553 0.72 TDP1 (0.47) TDP1EYA2APPACEPHF8
SCHEMBL7055782 0.72
SCHEMBL8587011 0.72
Glycine SCHEMBL5260202 0.72 GLRA1 (0.37) KDM4E
SCHEMBL13386668 0.72 MEN1 (0.32) MEN1KMT2ATSHRCYP2C19LMNA
SCHEMBL10256732 0.72 MVD (0.44) TDP1EYA2APPACEPHF8
SCHEMBL19449166 0.71 POLB (0.30)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060094789-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-04 US disclosed
US-7030161-B2 α-and β-amino acid hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-18 US disclosed
US-6683648-B2 ENZYME INHIBITORS SUCH AS 2S-(((DIMETHYLAMINO)ACETYL)AMINO)-N-(3-((((2-HYDROXY-1,1 -DIMETHYLETHYL)AMINO)SULFONYL)(3-METHYL BUTYL)AMINO)-2R-HYDROXY-1S-(PHENYLMETHYL)-PROPYL)-3,3-DIMETHYL BUTANAMIDE, USED FOR PROHYLAXIS OF VIRAL DISEASES G. D. SEARLE & CO. 2004-01-27 US disclosed
US-6403585-B1 INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS (HIV) PROTEASE G. D. SEARLE & CO. 2002-06-11 US disclosed
US-6211176-B1 AIDS TREATMENT G. D. SEARLE & CO. 2001-04-03 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 (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-20060094789-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors DNPEP, PEPD, PREP MEN1 4117/4885HTT 353/4885KMT2A 1216/4885

“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.