SCHEMBL5654730

SCHEMBL5654730

O=C(O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.71
CCKBR P32239 5/20 0.51
CCKAR P32238 4/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48

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
SCHEMBL5653231 0.93 PTGER4 (0.66) PTGER4CCKBRCCKARHDAC1HDAC6
SCHEMBL5656713 0.86 PTGER4 (0.77) PTGER4CCKBRHDAC1HDAC6
SCHEMBL5655295 0.85 PTGER4 (0.54) PTGER4SIRT5
SCHEMBL27676042 0.85 PTGER4 (0.54) PTGER4SIRT5
SCHEMBL5653674 0.84 PTGER4 (0.68) PTGER4CCKBRCCKARHDAC1HDAC6
SCHEMBL5748518 0.84 PTGER4 (0.68) PTGER4CCKBRCCKARHDAC1HDAC6
SCHEMBL5653672 0.84 PTGER4 (0.68) PTGER4CCKBRCCKARHDAC1HDAC6
SCHEMBL5653761 0.84 PTGER4 (0.74) PTGER4HDAC1SIRT5
SCHEMBL5655465 0.83 PTGER4 (0.52) PTGER4HDAC1HDAC6SIRT5
SCHEMBL5656217 0.83 PTGER4 (0.66) PTGER4CCKBRCCKARHDAC1HDAC6

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 4 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 claimed
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 PTGER4 1/4885CCKBR 469/4885CCKAR 404/4885

“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.