SCHEMBL5654023

SCHEMBL5654023

COC(=O)c1ccc(-c2ccccc2NC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MAPT P10636 1/20 0.49
SIRT5 Q9NXA8 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
SIRT1 Q96EB6 5/20 0.44
SIRT2 Q8IXJ6 5/20 0.44
SIRT3 Q9NTG7 3/20 0.44

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
SCHEMBL5653188 0.86 HDAC4 (0.60) KLK7KLK5HDAC1HDAC2SIRT5
SCHEMBL5739226 0.86 SIRT2 (0.47) KLK7KLK5HDAC1HDAC2MAPT
SCHEMBL5656256 0.84 CTSK (0.54) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL5653234 0.83 HDAC4 (0.53) KLK7KLK5HDAC1HDAC2MAPT
Hydrochloric Acid SCHEMBL5654027 0.83 ANPEP (0.53) HDAC1HDAC2
SCHEMBL5654459 0.83 PTGER4 (0.63) HDAC1HDAC2MAPTSIRT5
SCHEMBL5655443 0.82 KLK7 (0.51) KLK7KLK5HDAC1MAPTSIRT5
SCHEMBL5655227 0.82 HDAC4 (0.59) KLK7KLK5HDAC1HDAC2SIRT5
SCHEMBL8117258 0.81 MAPT (0.58) KLK7KLK5MAPTSIRT5SIRT1
SCHEMBL12993105 0.80 SIRT2 (0.58) KLK7KLK5HDAC1MAPTSIRT5

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 1984/4885HDAC1 1416/4885

“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.