SCHEMBL5653726

SCHEMBL5653726

COC(=O)c1cccc(CCNC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
MAPT P10636 1/20 0.51
CTSK P43235 2/20 0.50
CTSS P25774 2/20 0.48
CA1 P00915 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PTGER4 P35408 1/20 0.46
CTSL P07711 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL5652299 0.92 KLK7 (0.52) KLK7KLK5MAPTCTSKCTSS
SCHEMBL5656256 0.91 CTSK (0.54) KLK7KLK5MAPTCTSKCTSS
SCHEMBL5996732 0.89 CTSK (0.61) KLK7KLK5MAPTCTSKCTSS
SCHEMBL5655227 0.86 HDAC4 (0.59) KLK7KLK5
SCHEMBL12993105 0.86 SIRT2 (0.58) KLK7KLK5MAPT
SCHEMBL5653234 0.85 HDAC4 (0.53) KLK7KLK5MAPT
SCHEMBL5779877 0.84 KLK7 (0.52) KLK7KLK5MAPTCTSKCTSS
SCHEMBL7693003 0.84 KLK7 (0.56) KLK7KLK5MAPTCTSKCA1
SCHEMBL4857149 0.84 MAPT (0.58) KLK7KLK5MAPTCTSKCTSS
SCHEMBL17872138 0.83 MAPT (0.56) KLK7KLK5MAPTCTSKCTSS

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 3 patents. 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
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO 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.