SCHEMBL13624122

SCHEMBL13624122

CCOCC(CNC(=O)CCN1C(=O)C=CC1=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
TLR2 O60603 2/20 0.35
PTGS1 P23219 7/20 0.35
PTGS2 P35354 7/20 0.35
MGLL Q99685 3/20 0.35
FAAH O00519 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LPAR1 Q92633 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
MTNR1A P48039 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
SCHEMBL13623673 0.90 TLR2 (0.40) GSK3AGSK3BTLR2PTGS1PTGS2
SCHEMBL15892801 0.78 MGLL (0.39) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL13623807 0.78 SMN1; SMN2 (0.42) TLR2ALDH1A1HPGDCYP2C19
Ether SCHEMBL515801 0.77 GSK3A (0.33) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL25622581 0.77 TLR2 (0.42) TLR2PTGS1PTGS2MGLL
SCHEMBL15892774 0.76 HPGD (0.37) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL277453 0.76 SMN1; SMN2 (0.43) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL10018579 0.75 MGLL (0.33) TLR2PTGS1PTGS2MGLLFAAH
SCHEMBL10018581 0.75 MGLL (0.38) PTGS1PTGS2MGLLFAAHMEN1
SCHEMBL277801 0.75 SMN1; SMN2 (0.42) GSK3AGSK3BPTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090005297-A1 Aprotinin Variants BAYER HEALTHCARE AG (DE) 2009-01-01 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 GSK3A 3754/4885GSK3B 3936/4885TLR2 2445/4885
US-20090005297-A1 Aprotinin Variants PRSS1, SPINT2, SERPINB1 GSK3A 2920/4885GSK3B 3136/4885TLR2 4843/4885

“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.