SCHEMBL5654995

SCHEMBL5654995

COC(=O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.59
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
SIRT2 Q8IXJ6 7/20 0.47
SIRT1 Q96EB6 5/20 0.47
SIRT3 Q9NTG7 4/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46

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
SCHEMBL5652265 0.94 PTGER4 (0.68) PTGER4HDAC1HDAC2SIRT2SIRT1
SCHEMBL12193390 0.86 PTGER4 (0.54) PTGER4HDAC1HDAC2SIRT2SIRT1
SCHEMBL5653800 0.86 PTGER4 (0.46) PTGER4HDAC1HDAC2SIRT2SIRT1
SCHEMBL5653166 0.84 PTGER4 (0.62) PTGER4SIRT2SIRT1SIRT3MEN1
SCHEMBL5652490 0.84 PTGER4 (0.48) PTGER4HDAC1HDAC2CTSLCTSS
SCHEMBL5653832 0.84 PTGER4 (0.62) PTGER4SIRT2SIRT1SIRT3MEN1
SCHEMBL5653073 0.83 PTGER4 (0.49) PTGER4HDAC1HDAC2CTSLCTSS
SCHEMBL5653223 0.83 PTGER4 (0.51) PTGER4HDAC1HDAC2CTSLCTSS
SCHEMBL5823969 0.82 PTGER4 (0.47) PTGER4SIRT2SIRT1SIRT3CTSL
SCHEMBL5653738 0.82 CTSS (0.47) PTGER4SIRT2SIRT1SIRT3CTSL

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 PTGER4 1/4885HDAC1 1416/4885HDAC2 815/4885

“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.