SCHEMBL5653231

SCHEMBL5653231

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.66
CCKBR P32239 6/20 0.51
CCKAR P32238 4/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL5654730 0.93 PTGER4 (0.71) PTGER4CCKBRCCKARHDAC1HDAC6
SCHEMBL5653753 0.86 NR1H4 (0.49) PTGER4
SCHEMBL5653989 0.84 PTGER4 (0.67) PTGER4HDAC1HDAC6
SCHEMBL5654083 0.84 CA1 (0.52) PTGER4
SCHEMBL5654934 0.84 PTGER4 (0.48) PTGER4HDAC1HDAC6
SCHEMBL5657104 0.84 PTGER4 (0.47) PTGER4HDAC1HDAC6
SCHEMBL5748518 0.84 PTGER4 (0.68) PTGER4CCKBRCCKARHDAC1HDAC6
SCHEMBL5656209 0.83 PTGER4 (0.65) PTGER4CCKBRCCKARHDAC1HDAC6
SCHEMBL5653800 0.83 PTGER4 (0.46) PTGER4HDAC1
SCHEMBL5654879 0.83 HDAC1 (0.49) PTGER4HDAC1HDAC6

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 1/4885CCKBR 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.