SCHEMBL5654632

SCHEMBL5654632

O=C(O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 6/20 0.51
PTGER4 P35408 4/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
FOLH1 Q04609 3/20 0.48
HTT P42858 1/20 0.46
PSMB5 P28074 1/20 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) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL27676042 0.89 PTGER4 (0.54) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5655295 0.89 PTGER4 (0.54) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5654655 0.87 SIRT5 (0.49) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5655131 0.86 PTGER4 (0.48) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5654083 0.85 CA1 (0.52) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5653432 0.84 SIRT5 (0.51) SIRT5PTGER4FOLH1HTT
SCHEMBL5654471 0.84 HIF1A (0.45) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5654797 0.83 HDAC1 (0.52) SIRT5PTGER4FOLH1
SCHEMBL5653545 0.83 SIRT5 (0.52) SIRT5PTGER4FOLH1HTT

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 SIRT5 1504/4885PTGER4 1/4885CA1 3110/4885

“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.