SCHEMBL5654845

SCHEMBL5654845

O=C(O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.50
SIRT5 Q9NXA8 6/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
FOLH1 Q04609 2/20 0.44
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
HTT P42858 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41

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
SCHEMBL5654801 0.94 PTGER4 (0.46) PTGER4SIRT5MMP2MMP9ITGB3
SCHEMBL5653761 0.82 PTGER4 (0.74) PTGER4SIRT5FOLH1HTT
SCHEMBL5655924 0.82 HDAC1 (0.47) PTGER4SIRT5FOLH1
SCHEMBL5653432 0.81 SIRT5 (0.51) PTGER4SIRT5FOLH1HTT
SCHEMBL5654655 0.81 SIRT5 (0.49) PTGER4SIRT5FOLH1HTT
SCHEMBL5654632 0.81 SIRT5 (0.51) PTGER4SIRT5FOLH1HTT
SCHEMBL5655056 0.80 FOLH1 (0.51) PTGER4SIRT5MMP2MMP9FOLH1
SCHEMBL5748958 0.80 PTGER4 (0.46) PTGER4SIRT5FOLH1
SCHEMBL5654471 0.79 HIF1A (0.45) PTGER4SIRT5FOLH1
SCHEMBL5654083 0.79 CA1 (0.52) PTGER4SIRT5MMP2MMP9FOLH1

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 1/4885SIRT5 1504/4885MMP2 3589/4885

“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.