SCHEMBL5653112

SCHEMBL5653112

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
SIRT5 Q9NXA8 2/20 0.42
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
CTSK P43235 2/20 0.41
CTSS P25774 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
MAPT P10636 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL5739408 0.94 SIRT2 (0.43) KEAP1NFE2L2SIRT5KLK7KLK5
SCHEMBL5653286 0.91 KLK7 (0.43) SIRT5KLK7KLK5CTSKCTSS
SCHEMBL5653289 0.91 KLK7 (0.45) SIRT5KLK7KLK5CTSKCTSS
SCHEMBL5653258 0.90 KLK7 (0.51) SIRT5KLK7KLK5CTSKCTSS
SCHEMBL5654714 0.88 KLK7 (0.45) SIRT5KLK7KLK5CTSKCTSS
SCHEMBL5655281 0.88 KLK7 (0.46) SIRT5KLK7KLK5CTSKCTSS
SCHEMBL5653518 0.87 MAPT (0.46) SIRT5KLK7KLK5CTSKCTSS
SCHEMBL5655273 0.87 CTSK (0.43) SIRT5KLK7KLK5CTSKCTSS
SCHEMBL5652241 0.87 SIRT5 (0.40) KEAP1NFE2L2SIRT5KLK7KLK5
SCHEMBL5655245 0.86 KLK7 (0.44) SIRT5KLK7KLK5CTSKCTSS

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 KEAP1 1002/4885NFE2L2 150/4885SIRT5 1504/4885

“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.