SCHEMBL5654899

SCHEMBL5654899

COC(=O)c1cccc(CNC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)c2ccc3ccccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
PTGER4 P35408 5/20 0.48
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
MCHR1 Q99705 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOD2 Q9HC29 1/20 0.43

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
SCHEMBL5655200 0.93 HDAC1 (0.58) HDAC1PTGER4FNTAFNTBMCHR1
SCHEMBL8112529 0.86 HDAC1 (0.64) HDAC1PTGER4MCHR1MEN1KMT2A
SCHEMBL5651879 0.83 HDAC1 (0.57) HDAC1PTGER4MCHR1
SCHEMBL5652490 0.82 PTGER4 (0.48) HDAC1PTGER4FNTAFNTBCA1
SCHEMBL5652299 0.81 KLK7 (0.52) FNTAFNTB
SCHEMBL27676044 0.81 HDAC1 (0.53) HDAC1PTGER4MCHR1CA1CA2
SCHEMBL5653187 0.79 PTGER4 (0.71) PTGER4CA1CA2MEN1KMT2A
SCHEMBL5738890 0.78 HDAC1 (0.51) HDAC1PTGER4
Hydrochloric Acid SCHEMBL5740509 0.77 ANPEP (0.52) FNTAFNTBCA1CA2
SCHEMBL5654879 0.77 HDAC1 (0.49) HDAC1PTGER4

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 HDAC1 1416/4885PTGER4 1/4885FNTA 4038/4885

“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.