SCHEMBL5654714

SCHEMBL5654714

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1cccc(Cl)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
CTSL P07711 1/20 0.44
SIRT5 Q9NXA8 4/20 0.44
MAPT P10636 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SIRT2 Q8IXJ6 5/20 0.42
SIRT1 Q96EB6 5/20 0.42

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
SCHEMBL5655104 0.92 KLK7 (0.44) KLK7KLK5SIRT5MAPTITGB3
SCHEMBL5653289 0.92 KLK7 (0.45) KLK7KLK5SIRT5MAPTITGB3
SCHEMBL5653258 0.92 KLK7 (0.51) KLK7KLK5SIRT5MAPTITGB3
SCHEMBL5653112 0.88 KEAP1 (0.43) KLK7KLK5CTSLSIRT5MAPT
SCHEMBL5655281 0.88 KLK7 (0.46) KLK7KLK5SIRT5MAPTITGB3
SCHEMBL5655273 0.87 CTSK (0.43) KLK7KLK5CTSLSIRT5MAPT
SCHEMBL5653518 0.87 MAPT (0.46) KLK7KLK5SIRT5MAPTITGB3
SCHEMBL5655177 0.87 MAPT (0.44) KLK7KLK5CTSLSIRT5MAPT
SCHEMBL5653286 0.86 KLK7 (0.43) KLK7KLK5SIRT5MAPTITGB3
SCHEMBL5655245 0.86 KLK7 (0.44) KLK7KLK5CTSLSIRT5MAPT

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 1984/4885CTSL 4382/4885

“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.