SCHEMBL5656265

SCHEMBL5656265

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1cccnc1)NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
PTGER4 P35408 5/20 0.40
HDAC1 Q13547 9/20 0.39
HDAC6 Q9UBN7 5/20 0.38
HDAC4 P56524 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
FAAH O00519 1/20 0.38
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36

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
SCHEMBL5653260 0.93 IDO1 (0.40) IDO1PTGER4HDAC1HDAC6HDAC4
SCHEMBL5653800 0.93 PTGER4 (0.46) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5652950 0.89 PTGER4 (0.40) PTGER4HDAC1HDAC6HDAC3HDAC2
SCHEMBL5653374 0.89 PTGER4 (0.41) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5654815 0.89 PTGER4 (0.41) PTGER4HDAC1HDAC6HDAC4HDAC3
SCHEMBL5652454 0.89 PTGER4 (0.41) PTGER4HDAC1HDAC6HDAC4HDAC3
SCHEMBL5655216 0.88 HDAC1 (0.40) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5654016 0.87 PTGER4 (0.40) PTGER4HDAC1HDAC3HDAC2CTSS
SCHEMBL5654596 0.87 PTGER4 (0.51) PTGER4CTSSCTSLSIRT5
SCHEMBL5651596 0.85 HDAC1 (0.47) PTGER4HDAC1HDAC6HDAC4HDAC3

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 IDO1 190/4885PTGER4 1/4885HDAC1 1416/4885

“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.