SCHEMBL1976503

SCHEMBL1976503

CN1C(=O)C(Cc2ccc(OCc3ccccc3)cc2C(=O)F)N(C(=O)OC(C)(C)C)C1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.36
GHSR Q92847 5/20 0.36
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SRD5A2 P31213 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
PRKX P51817 1/20 0.34
ACVR1 Q04771 1/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
KLK7 P49862 1/20 0.34
PRMT5 O14744 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
SCHEMBL12589240 0.90 S1PR1 (0.39) YAP1GHSRS1PR1S1PR5MAOB
SCHEMBL3702777 0.80 TLR9 (0.36) YAP1MEN1KMT2AKDM4CSRD5A2
SCHEMBL12437861 0.80 MRGPRX4 (0.39) S1PR5KDM4CPLA2G10PLA2G5KLK7
SCHEMBL12437565 0.77 TLR9 (0.33) YAP1S1PR5KDM4CHDAC8PLA2G10
SCHEMBL1572001 0.74 EPHX2 (0.36) MEN1KMT2AKDM4CHDAC8
SCHEMBL15576931 0.74 EPHX2 (0.36) MEN1KMT2AKDM4CHDAC8
SCHEMBL30492184 0.73 PSEN1 (0.39) MEN1KMT2A
SCHEMBL25911097 0.73 PSEN1 (0.39) MEN1KMT2A
SCHEMBL25911117 0.73 PSEN1 (0.39) MEN1KMT2A
SCHEMBL25910992 0.73 PSEN1 (0.39) MEN1KMT2A

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 YAP1 4696/4885GHSR 1016/4885S1PR1 3596/4885
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 YAP1 4644/4885GHSR 849/4885S1PR1 4041/4885

“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.