SCHEMBL5653452

SCHEMBL5653452

CC(Sc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2n1C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.46
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL5747997 0.90 PTGER4 (0.47) PTGER4CTSSCTSLSIRT5HDAC4
SCHEMBL5652884 0.89 PTGER4 (0.47) PTGER4CTSSCTSLSIRT5HDAC4
SCHEMBL5747993 0.88 PTGER4 (0.44) PTGER4CTSSCTSLSIRT5HDAC4
SCHEMBL12193390 0.84 PTGER4 (0.54) PTGER4CTSSCTSLCPB1CPB2
SCHEMBL5654596 0.84 PTGER4 (0.51) PTGER4CTSSCTSLSIRT5FOLH1
SCHEMBL5655265 0.83 PTGER4 (0.45) PTGER4CTSSCTSLSIRT5HDAC1
SCHEMBL5655260 0.83 PTGER4 (0.45) PTGER4CTSSCTSLSIRT5HDAC1
SCHEMBL5653800 0.83 PTGER4 (0.46) PTGER4CTSSCTSLSIRT5HDAC1
SCHEMBL5651859 0.82 HDAC1 (0.47) PTGER4CPB1CPB2SIRT5HDAC4
SCHEMBL5823969 0.81 PTGER4 (0.47) PTGER4CTSSCTSL

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 1/4885CTSS 4377/4885CTSL 4382/4885

“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.