SCHEMBL19939465

SCHEMBL19939465

N[C@@](CCO)(C(=O)O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 3/20 0.37
ARG1 P05089 2/20 0.37
ODC1 P11926 2/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 2/20 0.31
GGT1 P19440 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 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
SCHEMBL18071344 1.00 ARG2 (0.37) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL5704688 0.79 MEN1 (0.38) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL21199502 0.79 MEN1 (0.38) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL5704692 0.79 MEN1 (0.38) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL4812451 0.77 ODC1 (0.53) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL4812444 0.77 ODC1 (0.53) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL4812447 0.77 ODC1 (0.53) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL188441 0.76 FDPS (0.41) ODC1THRBMEN1ALDH1A1CYP1A2
SCHEMBL7203565 0.76 ODC1 (0.47) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL7203566 0.76 ODC1 (0.47) ARG2ARG1ODC1KDM4ELMNA

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-20180066018-A1 CONFORMATIONALLY STABLE ANALOGS OF THE RESPONSE SELECTIVE C5A AGONIST EP67 THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-03-08 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-20180066018-A1 CONFORMATIONALLY STABLE ANALOGS OF THE RESPONSE SELECTIVE C5A AGONIST EP67 C5AR1, C5AR2, C3AR1 ARG2 1101/4885ARG1 103/4885ODC1 2417/4885

“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.