SCHEMBL2701598

SCHEMBL2701598

CC(C)C[C@@H](COCC(=O)O)NC=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
EPHX1 P07099 1/20 0.33
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
PLA2G10 O15496 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
FOLH1 Q04609 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
EPHX2 P34913 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
SCHEMBL13063726 0.80 ADH1B (0.41) CTSKADH1BADH1CADH1A
SCHEMBL1911407 0.79 ADH1B (0.35) CTSKADH1BADH1CADH1A
SCHEMBL2701593 0.77 CTSK (0.34) CTSKPLA2G10CACNA2D1CACNB3CACNA1C
SCHEMBL277866 0.73 ADH1B (0.48) EPHX1ADH1BADH1CADH1AMEN1
SCHEMBL25379715 0.72 RNPEP (0.37) MEN1KMT2AFOLH1TSHRCACNA2D1
SCHEMBL2952521 0.71
SCHEMBL1911356 0.70 ADH1B (0.40) EPHX1ADH1BADH1CADH1AMEN1
SCHEMBL2702682 0.70 ADH1B (0.40) EPHX1ADH1BADH1CADH1AMEN1
SCHEMBL9488694 0.69 SLC7A5 (0.43) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL14115915 0.68 ADH1B (0.42) EPHX1ADH1BADH1CADH1AMEN1

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-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 US disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP 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-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR CTSK 3959/4885EPHX1 3354/4885ADH1B 3798/4885

“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.