SCHEMBL5652912

SCHEMBL5652912

O=C(O)C=Cc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.66
SIRT5 Q9NXA8 2/20 0.43
MAOB P27338 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
HDAC4 P56524 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 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
SCHEMBL5652909 1.00 PTGER4 (0.66) PTGER4SIRT5MAOBHDAC1HDAC6
SCHEMBL5653115 0.93 PTGER4 (0.64) PTGER4SIRT5MAOBHDAC1HDAC6
SCHEMBL5653121 0.88 PTGER4 (0.65) PTGER4SIRT5MAOBHDAC1HDAC6
SCHEMBL5653118 0.88 PTGER4 (0.65) PTGER4SIRT5MAOBHDAC1HDAC6
SCHEMBL5654978 0.86 PTGER4 (0.65) PTGER4SIRT5HDAC1HDAC6HDAC4
SCHEMBL5654985 0.86 PTGER4 (0.65) PTGER4SIRT5HDAC1HDAC6HDAC4
SCHEMBL5655164 0.85 PTGER4 (0.48) PTGER4SIRT5HDAC1HDAC6TAS1R3
SCHEMBL5655167 0.85 PTGER4 (0.48) PTGER4SIRT5HDAC1HDAC6TAS1R3
SCHEMBL5797231 0.85 PTGER4 (0.77) PTGER4SIRT5
SCHEMBL5653674 0.84 PTGER4 (0.68) PTGER4HDAC1HDAC6HDAC4

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 1504/4885MAOB 540/4885

“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.