SCHEMBL5654471

SCHEMBL5654471

O=C(O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1Cl)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
SIRT5 Q9NXA8 3/20 0.43
PPARG P37231 1/20 0.43
PTGER4 P35408 3/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FOLH1 Q04609 2/20 0.40
TACR1 P25103 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
NFKB1 P19838 1/20 0.39
PSMB5 P28074 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL5654655 0.85 SIRT5 (0.49) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5653748 0.84 HDAC1 (0.48) SIRT5PTGER4KEAP1NFE2L2SMN1; SMN2
SCHEMBL5654468 0.84 PTGER4 (0.64) SIRT5PTGER4KEAP1NFE2L2FOLH1
SCHEMBL5654083 0.84 CA1 (0.52) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5654632 0.84 SIRT5 (0.51) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5654303 0.83 PTGER4 (0.42) SIRT5PTGER4KEAP1NFE2L2FOLH1
SCHEMBL27676042 0.81 PTGER4 (0.54) SIRT5PPARGPTGER4CA1CA2
SCHEMBL5655295 0.81 PTGER4 (0.54) SIRT5PPARGPTGER4CA1CA2
SCHEMBL5655131 0.79 PTGER4 (0.48) SIRT5PTGER4CA1CA2FOLH1
SCHEMBL5653432 0.79 SIRT5 (0.51) SIRT5PPARGPTGER4FOLH1

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 HIF1A 909/4885SIRT5 1504/4885PPARG 98/4885

“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.