SCHEMBL5652490

SCHEMBL5652490

COC(=O)c1cccc(CNC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)c2cc3ccccc3n2C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.48
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PSMB5 P28074 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
SCHEMBL5653073 0.94 PTGER4 (0.49) PTGER4FNTAFNTBCTSSCTSL
SCHEMBL5654466 0.87 PTGER4 (0.47) PTGER4FNTAFNTBCTSSCTSL
SCHEMBL5653223 0.85 PTGER4 (0.51) PTGER4CTSSCTSLCA1CA2
SCHEMBL12193390 0.84 PTGER4 (0.54) PTGER4CTSSCTSLCA1CA2
SCHEMBL5654995 0.84 PTGER4 (0.59) PTGER4CTSSCTSLCPB1CPB2
SCHEMBL5652265 0.83 PTGER4 (0.68) PTGER4CTSSCTSLCPB1CPB2
SCHEMBL5654899 0.82 HDAC1 (0.56) PTGER4FNTAFNTBCA1CA2
SCHEMBL5653721 0.82 PTGER4 (0.48) PTGER4CTSSCTSLCPB1CPB2
SCHEMBL5652299 0.81 KLK7 (0.52) FNTAFNTBCTSSCTSL
SCHEMBL5823969 0.80 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 3 patents. 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
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO 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 1/4885FNTA 4038/4885FNTB 4151/4885

“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.