SCHEMBL4902103

SCHEMBL4902103

CC(C)C[C@](N)(CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ADRA1A P35348 2/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CPT2 P23786 1/20 0.33
ACLY P53396 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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
SCHEMBL497762 0.86 GRM2 (0.46) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL16222761 0.83 GRM2 (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL16222675 0.83 GRM2 (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3383450 0.80 CYP1A2 (0.52) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3100826 0.80 GRM2 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL563056 0.80 CYP1A2 (0.52) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3100821 0.80 GRM2 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17143589 0.78 ODC1 (0.48) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17144085 0.78 ODC1 (0.48) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17143586 0.78 ODC1 (0.48) ALDH1A1MEN1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 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-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP 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
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
WO-2003008439-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING β-AMINO ACID OLIGOMERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-01-30 WO disclosed
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US 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
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 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 (3 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-20070123709-A1 Beta-amino acids BCAT1, MARCKS, YWHAZ ALDH1A1 4837/4885MEN1 1614/4885CYP1A2 4845/4885
US-20020037997-A1 Beta-amino acids BCAT1, BCAT2, MARCKS ALDH1A1 4863/4885MEN1 1262/4885CYP1A2 4872/4885
US-20130023644-A1 BETA-AMINO ACIDS BCAT1, MARCKS, YWHAZ ALDH1A1 4837/4885MEN1 1614/4885CYP1A2 4845/4885

“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.