SCHEMBL2849323

SCHEMBL2849323

Cn1ccc2ccc(C(=O)N[C@@H](CCCNC(=O)OCc3ccccc3)C(=O)N[C@H]3CCC[C@H]3C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PTGER4 P35408 5/20 0.42
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CASP3 P42574 3/20 0.41
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
HTRA1 Q92743 1/20 0.39
TGM2 P21980 1/20 0.39

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
SCHEMBL2839161 0.86 KLK7 (0.42) CA1CA2PTGER4KLK7KLK5
SCHEMBL2845511 0.85 KLK7 (0.44) PTGER4KLK7KLK5CASP3TGM2
SCHEMBL2848263 0.85 KLK7 (0.44) PTGER4KLK7KLK5CASP3TGM2
SCHEMBL2849324 0.84 PTGER4 (0.47) CA1CA2PTGER4KLK7KLK5
SCHEMBL2845533 0.83 CTSS (0.48) PTGER4KLK7KLK5CASP3
SCHEMBL2845514 0.83 CTSS (0.48) PTGER4KLK7KLK5CASP3
SCHEMBL2843551 0.83 PTGER4 (0.46) CA1CA2PTGER4KLK7KLK5
SCHEMBL2845439 0.82 KLK7 (0.44) CA1CA2PTGER4KLK7KLK5
SCHEMBL2842850 0.82 KLK7 (0.44) CA1CA2PTGER4KLK7KLK5
SCHEMBL2841937 0.82 KLK7 (0.44) CA1CA2PTGER4KLK7KLK5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US claimed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP claimed
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 CA1 4613/4885CA2 3629/4885PTGER4 1/4885

“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.