SCHEMBL5653738

SCHEMBL5653738

CCOC(=O)CCCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
SIRT2 Q8IXJ6 6/20 0.46
SIRT1 Q96EB6 6/20 0.46
PTGER4 P35408 5/20 0.44
CTSL P07711 1/20 0.42
SIRT5 Q9NXA8 1/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SIRT3 Q9NTG7 2/20 0.39

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
SCHEMBL5653800 0.91 PTGER4 (0.46) CTSSSIRT2SIRT1PTGER4CTSL
SCHEMBL5654596 0.91 PTGER4 (0.51) CTSSSIRT1PTGER4CTSLSIRT5
SCHEMBL5655066 0.88 PTGER4 (0.47) CTSSPTGER4CTSLSIRT5
SCHEMBL5653374 0.88 PTGER4 (0.41) CTSSSIRT2SIRT1PTGER4CTSL
SCHEMBL5653195 0.87 PTGER4 (0.46) CTSSPTGER4CTSLSIRT5
SCHEMBL5652950 0.86 PTGER4 (0.40) CTSSSIRT2SIRT1PTGER4CTSL
SCHEMBL5748958 0.86 PTGER4 (0.46) CTSSPTGER4CTSLSIRT5
SCHEMBL5652454 0.85 PTGER4 (0.41) CTSSSIRT2SIRT1PTGER4CTSL
SCHEMBL5655253 0.85 PTGER4 (0.47) CTSSPTGER4CTSLSIRT5
SCHEMBL5655216 0.84 HDAC1 (0.40) CTSSPTGER4CTSLSIRT5

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 CTSS 4377/4885SIRT2 784/4885SIRT1 949/4885

“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.