SCHEMBL5652314

SCHEMBL5652314

COC(=O)CSCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.54
KLK5 Q9Y337 2/20 0.54
MAPT P10636 1/20 0.54
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
FOLH1 Q04609 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PTGER4 P35408 1/20 0.47
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL5651760 0.88 MAPT (0.57) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL17872138 0.88 MAPT (0.56) KLK7KLK5MAPTCPB1CPB2
SCHEMBL12085041 0.87 MAPT (0.62) KLK7KLK5MAPTCPB1CPB2
SCHEMBL25502674 0.86 MAPT (0.60) KLK7KLK5MAPTCPB1CPB2
SCHEMBL30902907 0.86 MAPT (0.65) KLK7KLK5MAPTCPB1CPB2
SCHEMBL23626336 0.85 CPB1 (0.67) KLK7KLK5MAPTCPB1CPB2
SCHEMBL20543025 0.85 SIRT2 (0.62) KLK7KLK5MAPTMEN1ALDH1A1
SCHEMBL20543022 0.85 SIRT2 (0.62) KLK7KLK5MAPTMEN1ALDH1A1
SCHEMBL12667695 0.85 MAPT (0.59) KLK7KLK5MAPTCPB1CPB2
SCHEMBL5996732 0.85 CTSK (0.61) KLK7KLK5MAPTCPB1CPB2

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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 KLK7 1738/4885KLK5 1984/4885MAPT 4848/4885

“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.