SCHEMBL2849324

SCHEMBL2849324

O=C(NCCC[C@H](NC(=O)c1cccc(O)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.47
CASP3 P42574 3/20 0.46
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SIRT2 Q8IXJ6 4/20 0.44
SIRT1 Q96EB6 4/20 0.44
SIRT5 Q9NXA8 2/20 0.44

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
SCHEMBL2843551 0.92 PTGER4 (0.46) PTGER4CASP3KLK7KLK5CA1
SCHEMBL2842850 0.90 KLK7 (0.44) PTGER4CASP3KLK7KLK5CA1
SCHEMBL3625983 0.89 KLK7 (0.45) PTGER4CASP3KLK7KLK5CA1
SCHEMBL2845471 0.89 KDM1A (0.44) PTGER4CASP3KLK7KLK5CA1
SCHEMBL2849323 0.84 CA1 (0.43) PTGER4CASP3KLK7KLK5CA1
SCHEMBL2842792 0.83 HDAC1 (0.49) PTGER4CASP3KLK7KLK5
SCHEMBL2845514 0.83 CTSS (0.48) PTGER4CASP3KLK7KLK5
SCHEMBL2845533 0.83 CTSS (0.48) PTGER4CASP3KLK7KLK5
SCHEMBL2845513 0.83 KLK7 (0.46) PTGER4CASP3KLK7KLK5CA1
SCHEMBL2848265 0.82 KLK5 (0.64) CASP3KLK7KLK5

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-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 PTGER4 1/4885CASP3 3838/4885KLK7 2470/4885

“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.