SCHEMBL5656256

SCHEMBL5656256

COC(=O)c1ccc(CCNC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.54
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
CTSS P25774 1/20 0.52
MAPT P10636 1/20 0.52
MMP8 P22894 1/20 0.51
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
CA5A P35218 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL5996732 0.93 CTSK (0.61) CTSKKLK7KLK5CTSSMAPT
SCHEMBL5653726 0.91 KLK7 (0.51) CTSKKLK7KLK5CTSSMAPT
SCHEMBL5779877 0.85 KLK7 (0.52) CTSKKLK7KLK5CTSSMAPT
SCHEMBL5652299 0.85 KLK7 (0.52) CTSKKLK7KLK5CTSSMAPT
SCHEMBL4857149 0.85 MAPT (0.58) CTSKKLK7KLK5CTSSMAPT
SCHEMBL17872138 0.84 MAPT (0.56) CTSKKLK7KLK5CTSSMAPT
SCHEMBL25502674 0.84 MAPT (0.60) CTSKKLK7KLK5CTSSMAPT
SCHEMBL16124431 0.84 MAPT (0.60) CTSKKLK7KLK5CTSSMAPT
SCHEMBL30902907 0.84 MAPT (0.65) CTSKKLK7KLK5CTSSMAPT
SCHEMBL5654023 0.84 KLK7 (0.49) KLK7KLK5MAPTITGB3ITGA2B

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 CTSK 3974/4885KLK7 1738/4885KLK5 1984/4885

“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.