SCHEMBL5653482

SCHEMBL5653482

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NCc1ccc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.41
SIRT5 Q9NXA8 1/20 0.40
HDAC1 Q13547 4/20 0.39
PTGER4 P35408 2/20 0.39
SIRT1 Q96EB6 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL5653852 0.93 FOLH1 (0.46) FOLH1SIRT5HDAC1PTGER4HDAC4
SCHEMBL5654879 0.87 HDAC1 (0.49) SIRT5HDAC1PTGER4SIRT1SIRT2
SCHEMBL5656235 0.85 MMP2 (0.47) FOLH1SIRT5HDAC1SIRT1SIRT2
SCHEMBL5653483 0.82 HDAC1 (0.47) SIRT5HDAC1PTGER4HDAC4HDAC6
SCHEMBL5655189 0.82 HDAC1 (0.46) SIRT5HDAC1PTGER4SIRT1SIRT2
SCHEMBL5653535 0.81 HDAC1 (0.45) SIRT5HDAC1PTGER4HDAC4HDAC6
SCHEMBL5653753 0.80 NR1H4 (0.49) SIRT5PTGER4SIRT1SIRT2
SCHEMBL5653474 0.80 HDAC1 (0.46) SIRT5HDAC1PTGER4SIRT1SIRT2
SCHEMBL5651596 0.80 HDAC1 (0.47) SIRT5HDAC1PTGER4HDAC4HDAC6
SCHEMBL5652862 0.80 PTGER4 (0.43) SIRT5HDAC1PTGER4SIRT1SIRT2

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 FOLH1 2951/4885SIRT5 1504/4885HDAC1 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.