SCHEMBL5653864

SCHEMBL5653864

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.45
PTGER4 P35408 5/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
HTRA1 Q92743 1/20 0.37
MCHR1 Q99705 1/20 0.37
SIRT1 Q96EB6 2/20 0.37

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
SCHEMBL5654619 0.93 PTGER4 (0.48) HDAC1PTGER4HDAC3HDAC4HDAC7
SCHEMBL5653474 0.93 HDAC1 (0.46) HDAC1PTGER4HDAC4HDAC6SIRT5
SCHEMBL5653535 0.92 HDAC1 (0.45) HDAC1PTGER4HDAC3HDAC4HDAC7
SCHEMBL5654879 0.92 HDAC1 (0.49) HDAC1PTGER4HDAC4HDAC6SIRT5
SCHEMBL5652787 0.90 HDAC1 (0.46) HDAC1PTGER4MCHR1
SCHEMBL5653483 0.89 HDAC1 (0.47) HDAC1PTGER4HDAC4HDAC6SIRT5
SCHEMBL5655189 0.89 HDAC1 (0.46) HDAC1PTGER4SIRT5SIRT2HTRA1
SCHEMBL5651596 0.88 HDAC1 (0.47) HDAC1PTGER4HDAC3HDAC4HDAC7
SCHEMBL5653786 0.87 HDAC1 (0.47) HDAC1PTGER4MCHR1
SCHEMBL5653273 0.87 HDAC1 (0.44) HDAC1PTGER4SIRT5HTRA1MCHR1

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 HDAC1 1416/4885PTGER4 1/4885HDAC3 1179/4885

“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.