SCHEMBL1979353

SCHEMBL1979353

CN1C(=O)C(Cc2cc(CO)c(OCc3ccccc3)cc2F)N(C(=O)OC(C)(C)C)C1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.35
ELANE P08246 4/20 0.35
F2 P00734 1/20 0.35
CTSG P08311 1/20 0.34
KLK7 P49862 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
KLK5 Q9Y337 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32

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
SCHEMBL12437861 0.91 MRGPRX4 (0.39) TRPV3KLK7CCNT1CCNA2CDK2
SCHEMBL12437563 0.89 ERN1 (0.35) TRPV3KLK7CCNT1CCNA2CDK2
SCHEMBL12437565 0.88 TLR9 (0.33) TRPV3KLK7CCNT1CCNA2CDK2
SCHEMBL12589240 0.85 S1PR1 (0.39) S1PR5KDM4C
SCHEMBL12589246 0.85 DPP4 (0.31)
SCHEMBL3702777 0.83 TLR9 (0.36) KLK7KLK5TLR9TLR7ALDH1A1
SCHEMBL3100440 0.80 CYP4F2 (0.34) KLK7MAPTABCB1
SCHEMBL1976503 0.79 YAP1 (0.36) KLK7S1PR5KDM4CPLA2G10PLA2G5
SCHEMBL25910990 0.76 USP30 (0.40) MAPT
SCHEMBL30492183 0.76 USP30 (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336114-B1 PROCESS FOR THE SYNTHESIS OF L-3,4 DIHYDROXY-6-[18F]FLUORO-PHENYLALANINE AND 2-[18F]FLUOR-L-TYROSINE AND THEIR ALPHA-METHYLATED DERIVATIVES STARTING FROM A PRECURSOR FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2013-04-17 EP disclosed
US-20130060063-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES FROM THE PRECURSOR WAGNER FRANZISKA (DE) 2013-03-07 US disclosed
EP-2220049-B1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA -METHYLATED DERIVATIVES THEREOF, AND THE PRECURSORS FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2011-08-10 EP disclosed
EP-2336114-A1 Process for the synthesis of L-3,4 dihydroxy-6-[18F]fluoro-phenylalanine and 2-[18F]Fluor-L-tyrosine and their alpha-methylated derivatives starting from a precursor Forschungszentrum Jülich GmbH (DE) 2011-06-22 EP disclosed
US-20100261913-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6- [18F] FLUOROPHENYL ALAINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3, 4DIHYDROXY-6- [18F] FLUOROPHENYLALANINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2010-10-14 US disclosed
EP-2220049-A2 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA -METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4 DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR Forschungszentrum Jülich GmbH (DE) 2010-08-25 EP disclosed
WO-2009071049-A2 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE α-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4 DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE α-METHYLATED DERIVATIVES FROM THE PRECURSOR Forschungszentrum Jülich GmbH (DE) 2009-06-11 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 (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-20100261913-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6- [18F] FLUOROPHENYL ALAINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3, 4DIHYDROXY-6- [18F] FLUOROPHENYLALANINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR TH, DAO, FTO TRPV3 3995/4885ELANE 4840/4885F2 1674/4885
US-20130060063-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES FROM THE PRECURSOR TH, FTO, PAH TRPV3 3903/4885ELANE 4864/4885F2 2073/4885

“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.