SCHEMBL5654083

SCHEMBL5654083

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SIRT5 Q9NXA8 1/20 0.47
PTGER4 P35408 4/20 0.45
SIRT1 Q96EB6 6/20 0.45
SIRT2 Q8IXJ6 5/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
FOLH1 Q04609 1/20 0.44
SIRT3 Q9NTG7 2/20 0.43

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
SCHEMBL5740585 0.93 CA1 (0.50) CA1CA2SIRT5PTGER4SIRT1
SCHEMBL5653753 0.91 NR1H4 (0.49) CA1CA2SIRT5PTGER4SIRT1
SCHEMBL5654264 0.90 CA1 (0.47) CA1CA2SIRT5PTGER4SIRT1
SCHEMBL5653554 0.89 SIRT5 (0.46) CA1CA2SIRT5PTGER4SIRT1
SCHEMBL5656235 0.88 MMP2 (0.47) SIRT5SIRT1SIRT2MMP2MMP9
SCHEMBL5740058 0.86 HDAC1 (0.51) CA1CA2PTGER4
SCHEMBL5653258 0.86 KLK7 (0.51) SIRT5SIRT1SIRT2SIRT3
SCHEMBL5654801 0.86 PTGER4 (0.46) CA1CA2SIRT5PTGER4SIRT1
SCHEMBL5654632 0.85 SIRT5 (0.51) CA1CA2SIRT5PTGER4FOLH1
SCHEMBL5739335 0.85 PTGER4 (0.44) CA1CA2SIRT5PTGER4SIRT1

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 CA1 3110/4885CA2 1723/4885SIRT5 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.