SCHEMBL5654016

SCHEMBL5654016

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccoc1)NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.40
HDAC1 Q13547 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 1/20 0.38
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
SIRT1 Q96EB6 2/20 0.35
FOLH1 Q04609 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
TACR2 P21452 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL5656160 0.94 PTGER4 (0.45) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5653800 0.92 PTGER4 (0.46) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5653374 0.90 PTGER4 (0.41) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5655216 0.90 HDAC1 (0.40) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5652454 0.89 PTGER4 (0.41) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5652950 0.89 PTGER4 (0.40) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5654815 0.88 PTGER4 (0.41) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5656265 0.87 IDO1 (0.40) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5654596 0.86 PTGER4 (0.51) PTGER4CTSSCTSLSIRT5SIRT1
SCHEMBL5653273 0.84 HDAC1 (0.44) PTGER4HDAC1SIRT5SIRT1

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 1416/4885HDAC3 1179/4885

“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.