SCHEMBL417061

SCHEMBL417061

O=C(O)C(O)C(=O)[C@H]1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
DPP4 P27487 4/20 0.39
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.37
FAP Q12884 1/20 0.37
PRCP P42785 1/20 0.36
CTSC P53634 1/20 0.35
GLI1 P08151 1/20 0.34

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
SCHEMBL417059 1.00 NOS2 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL417060 1.00 NOS2 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL9022161 0.82 NOS2 (0.42) NOS2NOS3NOS1DPP4MEN1
SCHEMBL27548535 0.78 NOS2 (0.42) NOS2NOS3NOS1DPP4MEN1
SCHEMBL3113842 0.77 NOS2 (0.42) NOS2NOS3NOS1DPP4MEN1
Cadaverine Tartrate SCHEMBL27475560 0.76 MEN1 (0.42) NOS2NOS3NOS1DPP4MEN1
SCHEMBL14443285 0.75 NOS2 (0.43) NOS2NOS3NOS1DPP4MEN1
SCHEMBL801077 0.75 NOS2 (0.43) NOS2NOS3NOS1DPP4MEN1
SCHEMBL800667 0.75 NOS2 (0.43) NOS2NOS3NOS1DPP4MEN1
Proline SCHEMBL1740645 0.74 TP53 (0.42) NOS2NOS3NOS1DPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US claimed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US claimed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US claimed
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-8772450-B2 Beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-08 US disclosed
US-20130023644-A1 BETA-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-01-24 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US disclosed
WO-2004018644-A2 HETEROGENEOUS FOLDAMERS CONTAINING α, β, AND/OR Ϝ-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-04 WO disclosed
US-6683154-B1 UNNATURAL CATIONIC OLIGOMERS THAT HAVE NO KNOWN NATURAL COUNTERPART AND THAT DISPLAY ANTIBIOTIC ACTIVITY COMPARABLE TO THAT OF MAGAININ DERIVATIVE AGAINST AT LEAST FOUR DIFFERENT BACTERIAL SPECIES, YET EXHIBIT LOWER HEMOLYTIC ACTIVITY WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-01-27 US disclosed
US-6613876-B1 Covalently linking subunit of given formula to a plurality of separable solid substrates; deprotecting; used for generating combinatorial libraries WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-09-02 US disclosed
WO-2003008439-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING β-AMINO ACID OLIGOMERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-01-30 WO disclosed
US-20020037997-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-03-28 US disclosed
US-6060585-A β-polypeptide foldamers of well-defined secondary structure WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-05-09 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 (5 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 NOS2 4587/4885NOS3 4274/4885NOS1 4318/4885
US-20070123709-A1 Beta-amino acids BCAT1, MARCKS, YWHAZ NOS2 2544/4885NOS3 2677/4885NOS1 3011/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ NOS2 4592/4885NOS3 4374/4885NOS1 4383/4885
US-20020037997-A1 Beta-amino acids BCAT1, BCAT2, MARCKS NOS2 3440/4885NOS3 3187/4885NOS1 3895/4885
US-20130023644-A1 BETA-AMINO ACIDS BCAT1, MARCKS, YWHAZ NOS2 2544/4885NOS3 2677/4885NOS1 3011/4885

“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.