SCHEMBL4537746

SCHEMBL4537746

C=C(C)C(=O)NC(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8377936 1.00 TGFBR1 (0.44) TGFBR1TDP1RXFP1ALDH1A1KDM4E
SCHEMBL28385316 0.84 TDP1 (0.36) TGFBR1TDP1RXFP1
SCHEMBL10543946 0.81 TGFBR1 (0.47) TGFBR1TDP1RXFP1ALDH1A1KDM4E
SCHEMBL5451737 0.80 CA14 (0.43) TGFBR1TDP1RXFP1ALDH1A1KDM4E
SCHEMBL5497463 0.80 CA14 (0.43) TGFBR1TDP1RXFP1ALDH1A1KDM4E
SCHEMBL28665161 0.79 TGFBR1 (0.39) TGFBR1TDP1RXFP1
SCHEMBL149929 0.79 TGFBR1 (0.55) TGFBR1RXFP1ALDH1A1KDM4E
SCHEMBL8518825 0.79 TGFBR1 (0.55) TGFBR1RXFP1ALDH1A1KDM4E
SCHEMBL13952748 0.79 TGFBR1 (0.50) TGFBR1TDP1RXFP1ALDH1A1KDM4E
SCHEMBL865671 0.79 TGFBR1 (0.55) TGFBR1RXFP1ALDH1A1KDM4E

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164853-A1 PROSTACYCLIN COMPOSITIONS FOR REGULATION OF FRACTURE REPAIR AND BONE FORMATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2015-06-18 US claimed
WO-2009055306-A2 COATING DESIGNS FOR THE TAILORED RELEASE OF DUAL DRUGS FROM POLYMERIC COATINGS ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2009-04-30 WO claimed
US-20170348275-A1 PROSTACYCLIN COMPOSITIONS FOR REGULATION OF FRACTURE REPAIR AND BONE FORMATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2017-12-07 US disclosed
US-9763911-B2 Prostacyclin compositions for regulation of fracture repair and bone formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-09-19 US disclosed
US-20150164853-A1 PROSTACYCLIN COMPOSITIONS FOR REGULATION OF FRACTURE REPAIR AND BONE FORMATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2015-06-18 US disclosed
EP-2668039-B1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2015-06-03 EP disclosed
US-8658749-B2 Methods for manufacturing amino acid mimetic copolymers and use of same ABBOTT LABORATORIES (US) 2014-02-25 US disclosed
US-20130298792-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2013-11-14 US disclosed
US-20130298792-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2013-11-14 US disclosed
US-8569435-B2 Amino acid mimetic copolymers and medical devices coated with the copolymers ABBOTT LABORATORIES (US) 2013-10-29 US disclosed
US-8569435-B2 Amino acid mimetic copolymers and medical devices coated with the copolymers ABBOTT LABORATORIES (US) 2013-10-29 US disclosed
US-20100183798-A1 METHODS FOR MANUFACTURING AMINO ACID MIMETIC COPOLYMERS AND USE OF SAME ABBOTT LABORATORIES 2010-07-22 US disclosed
US-20100022663-A1 METHODS FOR MANUFACTURING AMINO ACID MIMETIC COPOLYMERS AND USE OF SAME ABBOTT LABORATORIES 2010-01-28 US disclosed
US-7622537-B2 copolymerizing an amino acid mimetic monomer and hydrophobic acrylate monomers; amino acid mimetic monomers selected to mimic the side chain of the amino acids Asn or gln can be a (meth)acryloyl derivative of 2-hydroxyacetamide, 3-hydroxypropionamide, alaninamide, lactamide; biocompatible; coated stent ABBOTT LABORATORIES (US) 2009-11-24 US disclosed
US-7622537-B2 copolymerizing an amino acid mimetic monomer and hydrophobic acrylate monomers; amino acid mimetic monomers selected to mimic the side chain of the amino acids Asn or gln can be a (meth)acryloyl derivative of 2-hydroxyacetamide, 3-hydroxypropionamide, alaninamide, lactamide; biocompatible; coated stent ABBOTT LABORATORIES (US) 2009-11-24 US disclosed
WO-2009055306-A2 COATING DESIGNS FOR THE TAILORED RELEASE OF DUAL DRUGS FROM POLYMERIC COATINGS ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2009-04-30 WO disclosed
US-20080125514-A1 Biocompatible polymers that include an amino acid mimetic monomer and one or more hydrophobic acrylate monomers, the amino acid mimetic monomers being selected to mimic the side chain of the amino acids asparagine or glutamine; mechanical strength, drug permeability ABBOTT LABORATORIES (US) 2008-05-29 US disclosed
US-20080124450-A1 copolymerizing an amino acid mimetic monomer and hydrophobic acrylate monomers; amino acid mimetic monomers selected to mimic the side chain of the amino acids Asn or gln can be a (meth)acryloyl derivative of 2-hydroxyacetamide, 3-hydroxypropionamide, alaninamide, lactamide; biocompatible; coated stent ABBOTT LABORATORIES (US) 2008-05-29 US disclosed
US-20080125514-A1 Biocompatible polymers that include an amino acid mimetic monomer and one or more hydrophobic acrylate monomers, the amino acid mimetic monomers being selected to mimic the side chain of the amino acids asparagine or glutamine; mechanical strength, drug permeability ABBOTT LABORATORIES (US) 2008-05-29 US disclosed
US-20080124450-A1 copolymerizing an amino acid mimetic monomer and hydrophobic acrylate monomers; amino acid mimetic monomers selected to mimic the side chain of the amino acids Asn or gln can be a (meth)acryloyl derivative of 2-hydroxyacetamide, 3-hydroxypropionamide, alaninamide, lactamide; biocompatible; coated stent ABBOTT LABORATORIES (US) 2008-05-29 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-20150164853-A1 PROSTACYCLIN COMPOSITIONS FOR REGULATION OF FRACTURE REPAIR AND BONE FORMATION PTGIR, PTGIS, PTGS1 TGFBR1 617/4885TDP1 2544/4885RXFP1 458/4885
US-20170348275-A1 PROSTACYCLIN COMPOSITIONS FOR REGULATION OF FRACTURE REPAIR AND BONE FORMATION PTGIR, PTGIS, PTGS1 TGFBR1 617/4885TDP1 2544/4885RXFP1 458/4885

“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.