SCHEMBL5654522

SCHEMBL5654522

COC(=O)CSCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.74
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
SIRT3 Q9NTG7 2/20 0.43

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
SCHEMBL5653167 0.93 PTGER4 (0.78) PTGER4CPB1CPB2CA1CA2
SCHEMBL5739001 0.91 PTGER4 (0.72) PTGER4CPB1CPB2CA1CA2
SCHEMBL5653516 0.86 PTGER4 (0.98) PTGER4CPB1CPB2CA1CA2
SCHEMBL5651834 0.85 PTGER4 (1.00) PTGER4CPB1CPB2FOLH1SIRT2
SCHEMBL5653172 0.85 PTGER4 (1.00) PTGER4CPB1CPB2FOLH1SIRT2
SCHEMBL5653232 0.85 PTGER4 (0.93) PTGER4CPB1CPB2TAS1R3TAS1R1
SCHEMBL5653780 0.84 PTGER4 (0.82) PTGER4CPB1CPB2CA1CA2
SCHEMBL5654536 0.84 PTGER4 (1.00) PTGER4CPB1CPB2FOLH1SIRT2
SCHEMBL5653729 0.84 PTGER4 (1.00) PTGER4CPB1CPB2FOLH1SIRT2
SCHEMBL5653808 0.83 PTGER4 (0.86) PTGER4CPB1CPB2CA1CA2

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 1/4885CPB1 4536/4885CPB2 4154/4885

“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.