SCHEMBL5653753

SCHEMBL5653753

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
PTGER4 P35408 5/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SIRT5 Q9NXA8 1/20 0.45
SIRT1 Q96EB6 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
LNPEP Q9UIQ6 2/20 0.42
ERAP2 Q6P179 1/20 0.42
TGM2 P21980 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL5655295 0.93 PTGER4 (0.54) NR1H4PTGER4CA1CA2SIRT5
SCHEMBL27676042 0.93 PTGER4 (0.54) NR1H4PTGER4CA1CA2SIRT5
SCHEMBL5740058 0.91 HDAC1 (0.51) PTGER4CA1CA2
SCHEMBL5654083 0.91 CA1 (0.52) PTGER4CA1CA2SIRT5SIRT1
SCHEMBL5654264 0.90 CA1 (0.47) PTGER4CA1CA2SIRT5SIRT1
SCHEMBL5740585 0.90 CA1 (0.50) PTGER4CA1CA2SIRT5SIRT1
SCHEMBL5657104 0.87 PTGER4 (0.47) PTGER4CA1CA2SIRT5SIRT1
SCHEMBL5654879 0.86 HDAC1 (0.49) PTGER4SIRT5SIRT1SIRT2
SCHEMBL5653989 0.86 PTGER4 (0.67) PTGER4CA1CA2SIRT5SIRT1
SCHEMBL5653231 0.86 PTGER4 (0.66) PTGER4

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 2 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
CN-1898227-A As prostaglandin E2Ornithine derivatives as agonists or antagonists ASTELLAS PHARMA INC (JP) 2007-01-17 CN 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 NR1H4 52/4885PTGER4 1/4885CA1 3110/4885

“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.