SCHEMBL3060797

SCHEMBL3060797

CN1C(=O)C(C(=O)[O-])[N+](Cc2cc(COC3CCCCO3)c(OCc3ccccc3)cc2F)(C(C)(C)C)C1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 8/20 0.33
CREBBP Q92793 2/20 0.33
EP300 Q09472 1/20 0.32
CNR2 P34972 1/20 0.32
ACACB O00763 1/20 0.32
PTGER1 P34995 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL1980978 0.76 CCR5 (0.38) CREBBPEP300PTGER1ICAM1SELE
SCHEMBL3469308 0.76 CFTR (0.35) CFTRCREBBPEP300CNR2ACACB
SCHEMBL14735919 0.74 CCR5 (0.40) CREBBPPTGER1
SCHEMBL1979487 0.71 CCR5 (0.45) PTGER1
SCHEMBL3052730 0.67 MRGPRX4 (0.35) PTGER1MRGPRX4
SCHEMBL5940773 0.66 CCR5 (0.40) CREBBPEP300PTGER1ICAM1SELE
SCHEMBL12438192 0.64 MEN1 (0.40) CREBBPCNR2ICAM1SELE
SCHEMBL5940792 0.63 MEN1 (0.40) CREBBPPTGER1
SCHEMBL12588848 0.63 MEN1 (0.39) CREBBPEP300CNR2ICAM1SELE
SCHEMBL5940726 0.62 CCR5 (0.49) ICAM1SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 CFTR 4876/4885CREBBP 4743/4885EP300 4785/4885

“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.