SCHEMBL9610844

SCHEMBL9610844

CCCNCOCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
PAOX Q6QHF9 1/20 0.36
PAM P19021 2/20 0.34
PTGS1 P23219 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TSHR P16473 1/20 0.32
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
CYP2C19 P33261 1/20 0.31
THRB P10828 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
ANPEP P15144 1/20 0.31

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
SCHEMBL30629028 0.82
SCHEMBL30841598 0.79 EPHX2 (0.30) EPHX2TSHRCTHCBSTHPO
SCHEMBL30715219 0.79 EPHX2 (0.30) EPHX2TSHRCTHCBSTHPO
SCHEMBL21564136 0.78 PAOX (0.33) PAOXANPEP
SCHEMBL30971878 0.78 EPHX2 (0.42) EPHX2PAOXTSHRCYP2C19
SCHEMBL18251468 0.78 EPHX2 (0.42) EPHX2PAOXTSHRCYP2C19
SCHEMBL17258352 0.75 EPHX2 (0.37) EPHX2TSHRCYP2C19THRB
SCHEMBL27142884 0.75 EPHX2 (0.54) EPHX2PAOXPAMCYP2C19
SCHEMBL23051835 0.73
SCHEMBL2984866 0.72 MCL1 (0.44) EPHX2PTGS1TSHRKDM4CMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 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-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS EPHX2 4072/4885PAOX 3766/4885PAM 2362/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS EPHX2 4072/4885PAOX 3766/4885PAM 2362/4885

“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.