SCHEMBL5653489

SCHEMBL5653489

COC(=O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.57
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SIRT2 Q8IXJ6 8/20 0.50
SIRT1 Q96EB6 6/20 0.50
SIRT3 Q9NTG7 6/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
ANPEP P15144 1/20 0.49
GRIA1 P42261 1/20 0.49

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
SCHEMBL5653166 0.87 PTGER4 (0.62) PTGER4ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL5656118 0.85 PTGER4 (0.59) PTGER4ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL5654338 0.83 PTGER4 (0.56) PTGER4ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL5655041 0.83 PTGER4 (0.57) PTGER4ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL5651760 0.82 MAPT (0.57) PTGER4ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL5653832 0.82 PTGER4 (0.62) PTGER4ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL27656145 0.82 ANPEP (0.53) PTGER4SIRT2ANPEP
SCHEMBL28763200 0.81 ANPEP (0.48) PTGER4ALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL5653266 0.81 PTGER4 (0.55) PTGER4ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL5655204 0.80 PTGER4 (0.62) PTGER4ALDH1A1SIRT2SIRT1SIRT3

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 1/4885ALDH1A1 1570/4885SMN1; SMN2 3483/4885

“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.