SCHEMBL5652474

SCHEMBL5652474

O=C(O)CCCCCNC(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.85
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 3/20 0.52
HTT P42858 1/20 0.49
HDAC3 O15379 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
FOLH1 Q04609 2/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45

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
SCHEMBL5653729 0.92 PTGER4 (1.00) PTGER4HDAC1HDAC2HTTFOLH1
SCHEMBL5653172 0.92 PTGER4 (1.00) PTGER4HDAC1HDAC2HTTFOLH1
SCHEMBL5654536 0.92 PTGER4 (1.00) PTGER4HDAC1HDAC2HTTFOLH1
SCHEMBL5651834 0.92 PTGER4 (1.00) PTGER4HDAC1HDAC2HTTFOLH1
SCHEMBL5656139 0.92 PTGER4 (0.93) PTGER4HDAC1HDAC2HTTHDAC3
SCHEMBL5653516 0.91 PTGER4 (0.98) PTGER4HDAC1HDAC2HTTFOLH1
SCHEMBL5653232 0.89 PTGER4 (0.93) PTGER4HDAC1HDAC2HTTFOLH1
SCHEMBL5655070 0.85 PTGER4 (0.73) PTGER4HDAC1HDAC2HDAC3HDAC4
SCHEMBL5655068 0.85 PTGER4 (0.73) PTGER4HDAC1HDAC2HDAC3HDAC4
SCHEMBL5653808 0.85 PTGER4 (0.86) PTGER4HDAC1HDAC2FOLH1SIRT2

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 1/4885HDAC1 1416/4885HDAC2 815/4885

“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.