SCHEMBL18924756

SCHEMBL18924756

NCCNC(=O)OCCCC[C@H](N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
ACHE P22303 8/20 0.44
DDAH1 O94760 2/20 0.42
ARG2 P78540 4/20 0.41
ARG1 P05089 3/20 0.41
OTC P00480 1/20 0.41
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL19246101 0.92 GSR (0.56) GSRACHEDDAH1ARG2ARG1
SCHEMBL20192789 0.89 GSR (0.56) GSRACHEDDAH1ARG2ARG1
SCHEMBL24945952 0.88 GSR (0.53) GSRACHEDDAH1ARG2ARG1
SCHEMBL22375753 0.88 GSR (0.53) GSRACHEDDAH1ARG2ARG1
SCHEMBL18924694 0.88 GSR (0.53) GSRACHEDDAH1ARG2ARG1
SCHEMBL20192790 0.86 GSR (0.50) GSRACHEDDAH1ARG2ARG1
SCHEMBL7803301 0.82 ACHE (0.62) ACHENOD1
SCHEMBL7797292 0.82 ACHE (0.62) ACHENOD1
SCHEMBL15618155 0.82 GSR (0.40) GSRACHEDDAH1ARG2ARG1
SCHEMBL7804961 0.82 ACHE (0.62) ACHENOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253345-B2 Cell lines MEDIMMUNE LIMITED (GB) 2019-04-09 US disclosed
US-20170306381-A1 CELL LINES ALLOZYNE, INC. 2017-10-26 US disclosed
US-20170306380-A1 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2017-10-26 US disclosed
US-9732367-B2 Cell lines MEDIMMUNE LIMITED (GB) 2017-08-15 US disclosed
US-9670521-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2017-06-06 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 (3 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-10253345-B2 Cell lines AARS1, LARS1, IARS1 GSR 1724/4885ACHE 4880/4885DDAH1 3832/4885
US-20170306381-A1 CELL LINES AARS1, LARS1, IARS1 GSR 1724/4885ACHE 4880/4885DDAH1 3832/4885
US-20170306380-A1 AMINO ACID DERIVATIVES BCAT2, DNPEP, BCAT1 GSR 3690/4885ACHE 3823/4885DDAH1 584/4885

“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.