SCHEMBL3217854

SCHEMBL3217854

COC(=O)[C@H](C)N(OC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM1A O60341 1/20 0.39
TSHR P16473 1/20 0.38
LTA4H P09960 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL3199580 0.85 KMT2A (0.41) KMT2AHTTNPSR1CHRNB2CHRNB4
SCHEMBL5049712 0.82 KDM4E (0.38) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL30489371 0.81 KMT2A (0.55) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL10527071 0.81 KMT2A (0.50) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL28995221 0.80 KMT2A (0.53) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL9191050 0.80 KMT2A (0.48) KMT2AMEN1PLA2G1BHTTNPSR1
Hydrochloric Acid SCHEMBL10590655 0.80 KMT2A (0.53) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL22321965 0.80 KDM4E (0.36) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL6553514 0.80 LAP3 (0.36) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL382026 0.80 KDM4E (0.36) KMT2AMEN1PLA2G1BHTTNPSR1

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
EP-1679302-B1 AROMATIC AMINO ACID LABELED WITH STABLE ISOTOPE, METHOD FOR INCORPORATING THE SAME INTO TARGET PROTEIN AND METHOD FOR ANALYZING PROTEIN STRUCTURE USING NMR JAPAN SCIENCE & TECH AGENCY (JP) 2014-04-30 EP disclosed
US-8440169-B2 Stable isotope-labeled aromatic amino acids, method for incorporating the same in target protein and method for NMR-structural analysis of proteins JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-05-14 US disclosed
US-20100056799-A1 Stable Isotope-Labeled Aromatic Amino Acids, Method for Incorporating the Same in Target Protein and Method for NMR-Structural Analysis of Proteins JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-03-04 US disclosed
US-7608248-B2 Stable isotope-labeled aromatic amino acids, method for incorporating the same in target protein and method for NMR-structural analysis of proteins JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-10-27 US disclosed
US-20060194328-A1 Stable isotope-labeled aromatic amino acids, method for incorporating the same in target protein and method for NMR-structural analysis of proteins JAPAN SCIENCE AND TECHNOLOGY AGENCY 2006-08-31 US disclosed
EP-1679302-A1 AROMATIC AMINO ACID LABELED WITH STABLE ISOTOPE, METHOD FOR INCORPORATING THE SAME INTO TARGET PROTEIN AND METHOD FOR ANALYZING PROTEIN STRUCTURE USING NMR Japan Science and Technology Agency (JP) 2006-07-12 EP 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-20100056799-A1 Stable Isotope-Labeled Aromatic Amino Acids, Method for Incorporating the Same in Target Protein and Method for NMR-Structural Analysis of Proteins BCAT1, DDC, PAH KMT2A 2489/4885MEN1 4285/4885PLA2G1B 4496/4885
US-20060194328-A1 Stable isotope-labeled aromatic amino acids, method for incorporating the same in target protein and method for NMR-structural analysis of proteins BCAT1, DDC, PAH KMT2A 2489/4885MEN1 4285/4885PLA2G1B 4496/4885

“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.