SCHEMBL5653518

SCHEMBL5653518

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccncc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
SIRT5 Q9NXA8 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SIRT1 Q96EB6 6/20 0.41
SIRT2 Q8IXJ6 5/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
HDAC1 Q13547 2/20 0.41
SIRT3 Q9NTG7 2/20 0.40

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
SCHEMBL5653258 0.94 KLK7 (0.51) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5655177 0.92 MAPT (0.44) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5655281 0.91 KLK7 (0.46) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5653289 0.91 KLK7 (0.45) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5655273 0.89 CTSK (0.43) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5652241 0.88 SIRT5 (0.40) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5653286 0.88 KLK7 (0.43) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5655245 0.88 KLK7 (0.44) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5655104 0.88 KLK7 (0.44) MAPTKLK7KLK5SIRT5ITGB3
SCHEMBL5653112 0.87 KEAP1 (0.43) MAPTKLK7KLK5SIRT5ITGB3

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 MAPT 4848/4885KLK7 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.