SCHEMBL3100440

SCHEMBL3100440

CN1C(=O)C(Cc2cc(CO)ccc2F)N(C(=O)OC(C)(C)C)C1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ABCB1 P08183 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
USP30 Q70CQ3 1/20 0.31
CAPN1 P07384 1/20 0.31
DPP4 P27487 1/20 0.31
KLK7 P49862 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1754802 1.00 CYP4F2 (0.34) CYP4F2CYP4A11ABCB1GPR119USP30
SCHEMBL3101678 1.00 CYP4F2 (0.34) CYP4F2CYP4A11ABCB1GPR119USP30
SCHEMBL3094517 0.85 GPR119 (0.32) ABCB1GPR119DPP4
SCHEMBL1704692 0.84 CYP4F2 (0.33) CYP4F2CYP4A11CAPN1
SCHEMBL2307277 0.84 CYP4F2 (0.33) CYP4F2CYP4A11CAPN1
SCHEMBL1754821 0.83 HTR2C (0.35) GPR119KLK7MAPTSMN1; SMN2
SCHEMBL25911105 0.82 USP30 (0.40) USP30DPP4MAPT
SCHEMBL30492183 0.82 USP30 (0.40) USP30DPP4MAPT
SCHEMBL25911089 0.82 USP30 (0.40) USP30DPP4MAPT
SCHEMBL25910990 0.82 USP30 (0.40) USP30DPP4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273793-B2 Method for producing precursors for L-2- [18F] fluorophenylalanine and 6- [18F] fluoro-L—meta-tyrosine and the α-methylated derivatives thereof, precursor, and method for producing L-2- [18F] fluorophenylalanine and 6- [18F] fluoro-L-meta-tyrosine and the α-methylated derivatives from the precursor FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2012-09-25 US disclosed
US-20100256389-A1 METHOD FOR PRODUCING PRECURSORS FOR L-2- [18F] FLUOROPHENYLALANINE AND 6- [18F] FLUORO-L--META-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-2- [18F] FLUOROPHENYLALANINE AND 6- [18F] FLUORO-L-META-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2010-10-07 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 (1 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-20100256389-A1 METHOD FOR PRODUCING PRECURSORS FOR L-2- [18F] FLUOROPHENYLALANINE AND 6- [18F] FLUORO-L--META-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-2- [18F] FLUOROPHENYLALANINE AND 6- [18F] FLUORO-L-META-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR TH, TYR, COMT CYP4F2 65/4885CYP4A11 789/4885ABCB1 2326/4885

“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.