SCHEMBL5654575

SCHEMBL5654575

Cc1cccc(COC(=O)NCCC[C@H](NC(=O)c2cc3ccccc3s2)C(=O)Nc2ccccc2CCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.48
PIN1 Q13526 1/20 0.43
SIRT5 Q9NXA8 5/20 0.43
KLKB1 P03952 1/20 0.40
FOLH1 Q04609 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
HDAC1 Q13547 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL5652300 0.94 PIN1 (0.42) PTGER4PIN1SIRT5KLKB1TAS1R3
SCHEMBL5652891 0.91 PTGER4 (0.48) PTGER4SIRT5KLKB1FOLH1TAS1R3
SCHEMBL5655940 0.90 PTGER4 (0.47) PTGER4PIN1SIRT5KLKB1TAS1R3
SCHEMBL5652220 0.90 PTGER4 (0.55) PTGER4SIRT5FOLH1TAS1R3TAS1R1
SCHEMBL5651559 0.89 PTGER4 (0.47) PTGER4SIRT5FOLH1TAS1R3TAS1R1
SCHEMBL5654934 0.89 PTGER4 (0.48) PTGER4SIRT5TAS1R3TAS1R1HDAC1
SCHEMBL5652835 0.87 PTGER4 (0.47) PTGER4SIRT5KLKB1TAS1R3TAS1R1
SCHEMBL5654868 0.85 HDAC1 (0.46) PTGER4SIRT5FOLH1HDAC1
SCHEMBL5653195 0.84 PTGER4 (0.46) PTGER4SIRT5FOLH1HDAC1
SCHEMBL5739747 0.84 PTGER4 (0.42) PTGER4SIRT5TAS1R3TAS1R1HDAC1

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 1/4885PIN1 4245/4885SIRT5 1504/4885

“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.