SCHEMBL5840979

SCHEMBL5840979

Fc1[c]c(F)c(-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.31
PGR P06401 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
SCHEMBL17514981 0.77
SCHEMBL10428951 0.76 BACE1 (0.36)
SCHEMBL17514733 0.75 ABL1 (0.44)
SCHEMBL27482127 0.74 BACE1 (0.34)
SCHEMBL4250572 0.72 ALDH1A1 (0.34)
SCHEMBL27496672 0.71 PTGS2 (0.41)
SCHEMBL4279530 0.71 HSD17B1 (0.45)
SCHEMBL16485937 0.71 CA9 (0.35)
SCHEMBL27465816 0.71 PTGS2 (0.36)
SCHEMBL17514758 0.69 NISCH (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038077-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
US-20050009912-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2005-01-13 US disclosed
US-20040138304-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2004-07-15 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 (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-20050009912-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A3, SLC1A1 NOTUM 3599/4885PGR 2764/4885
US-20040138304-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 NOTUM 2683/4885PGR 2858/4885

“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.