SCHEMBL5652862

SCHEMBL5652862

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cnc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.43
SIRT5 Q9NXA8 1/20 0.43
HDAC1 Q13547 4/20 0.42
HTRA1 Q92743 1/20 0.42
SIRT1 Q96EB6 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL5654879 0.90 HDAC1 (0.49) PTGER4SIRT5HDAC1SIRT1SIRT2
SCHEMBL5657104 0.88 PTGER4 (0.47) PTGER4SIRT5HDAC1HTRA1SIRT1
SCHEMBL5739335 0.87 PTGER4 (0.44) PTGER4SIRT5HDAC1SIRT1SIRT2
SCHEMBL5655189 0.85 HDAC1 (0.46) PTGER4SIRT5HDAC1HTRA1SIRT1
SCHEMBL5653483 0.85 HDAC1 (0.47) PTGER4SIRT5HDAC1HTRA1HDAC4
SCHEMBL5651596 0.85 HDAC1 (0.47) PTGER4SIRT5HDAC1HTRA1HDAC4
SCHEMBL5653535 0.85 HDAC1 (0.45) PTGER4SIRT5HDAC1HDAC4HDAC6
SCHEMBL5655221 0.85 FAP (0.47) PTGER4SIRT5HDAC1HTRA1SIRT1
SCHEMBL5654083 0.84 CA1 (0.52) PTGER4SIRT5SIRT1SIRT2CA1
SCHEMBL5653474 0.84 HDAC1 (0.46) PTGER4SIRT5HDAC1SIRT1SIRT2

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 PTGER4 1/4885SIRT5 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.