SCHEMBL5654619

SCHEMBL5654619

O=C(O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.48
HDAC1 Q13547 7/20 0.46
SIRT5 Q9NXA8 5/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
FOLH1 Q04609 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
SCHEMBL5653864 0.93 HDAC1 (0.45) PTGER4HDAC1SIRT5HDAC3HDAC4
SCHEMBL5655924 0.92 HDAC1 (0.47) PTGER4HDAC1SIRT5HDAC3HDAC4
SCHEMBL5654868 0.92 HDAC1 (0.46) PTGER4HDAC1SIRT5HDAC4HDAC6
SCHEMBL5653748 0.89 HDAC1 (0.48) PTGER4HDAC1SIRT5FOLH1
SCHEMBL5655045 0.89 PTGER4 (0.52) PTGER4HDAC1SIRT5HDAC4HDAC6
SCHEMBL5654551 0.88 HDAC1 (0.47) PTGER4HDAC1SIRT5FOLH1
SCHEMBL5652253 0.86 HDAC1 (0.48) PTGER4HDAC1SIRT5FOLH1
SCHEMBL5652247 0.86 HDAC1 (0.49) PTGER4HDAC1SIRT5HDAC4HDAC6
SCHEMBL5654879 0.86 HDAC1 (0.49) PTGER4HDAC1SIRT5HDAC4HDAC6
SCHEMBL5653474 0.85 HDAC1 (0.46) PTGER4HDAC1SIRT5HDAC4HDAC6

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 1/4885HDAC1 1416/4885SIRT5 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.