SCHEMBL16448162

SCHEMBL16448162

C=CCNC(=O)OCCSC[C@@H](N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
NOS2 P35228 3/20 0.38
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
BHMT Q93088 1/20 0.33
DDAH1 O94760 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL17852438 1.00 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL20192950 0.80 ARG1 (0.44) ARG1ARG2NOS2NOS1NOS3
SCHEMBL17852295 0.78 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL20178599 0.78 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL16448214 0.78 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL20192792 0.78 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL16447139 0.78 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL15618178 0.77 DDAH1 (0.43) ARG1ARG2NOS2NOS1NOS3
SCHEMBL16446671 0.77 NOS3 (0.40) NOS2NOS1NOS3GRIK1GRIK2
SCHEMBL1700571 0.77 ARG1 (0.37) ARG1ARG2NOS2NOS1NOS3

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
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 EP disclosed
US-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 US disclosed
US-20160176811-A1 Amino Acid Derivatives ALLOZYNE, INC. 2016-06-23 US disclosed
EP-3030545-A2 AMINO ACID DERIVATIVES Medimmune Limited (GB) 2016-06-15 EP disclosed
WO-2015019192-A2 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2015-02-12 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 (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-20160176811-A1 Amino Acid Derivatives BCAT2, BCAT1, DAO ARG1 102/4885ARG2 277/4885NOS2 3197/4885

“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.