SCHEMBL5652265

SCHEMBL5652265

Cn1c(C(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)NCCCCCC(=O)O)cc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.68
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
FOLH1 Q04609 2/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
HTT P42858 1/20 0.48
SIRT2 Q8IXJ6 5/20 0.48
SIRT1 Q96EB6 3/20 0.48
SIRT3 Q9NTG7 3/20 0.48
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47

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
SCHEMBL5654995 0.94 PTGER4 (0.59) PTGER4HDAC1HDAC2CTSLCTSS
SCHEMBL12193390 0.88 PTGER4 (0.54) PTGER4HDAC1HDAC2FOLH1CTSL
SCHEMBL5653223 0.86 PTGER4 (0.51) PTGER4HDAC1HDAC2FOLH1CTSL
SCHEMBL5654596 0.86 PTGER4 (0.51) PTGER4FOLH1CTSLCTSSHTT
SCHEMBL5653073 0.85 PTGER4 (0.49) PTGER4HDAC1HDAC2CTSLCTSS
SCHEMBL5652490 0.83 PTGER4 (0.48) PTGER4HDAC1HDAC2CTSLCTSS
SCHEMBL5823969 0.83 PTGER4 (0.47) PTGER4CTSLCTSSSIRT2SIRT1
SCHEMBL5654466 0.83 PTGER4 (0.47) PTGER4FOLH1CTSLCTSSCPB1
SCHEMBL5653457 0.82 PTGER4 (0.73) PTGER4FOLH1HTTSIRT2SIRT1
SCHEMBL5652884 0.82 PTGER4 (0.47) PTGER4HDAC1FOLH1CTSLCTSS

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 1416/4885HDAC2 815/4885

“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.