SCHEMBL2839161

SCHEMBL2839161

CC(=O)c1cn(C)c2cc(C(=O)N[C@@H](CCCNC(=O)OCc3ccccc3)C(=O)N[C@H]3CCC[C@H]3C(=O)O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTGER4 P35408 5/20 0.39
CASP3 P42574 3/20 0.39
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
FAP Q12884 1/20 0.36

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
SCHEMBL2849323 0.86 CA1 (0.43) KLK7KLK5CA1CA2PTGER4
SCHEMBL2845511 0.83 KLK7 (0.44) KLK7KLK5PTGER4CASP3
SCHEMBL2849324 0.82 PTGER4 (0.47) KLK7KLK5CA1CA2PTGER4
SCHEMBL2841937 0.82 KLK7 (0.44) KLK7KLK5CA1CA2PTGER4
SCHEMBL3625983 0.81 KLK7 (0.45) KLK7KLK5CA1CA2PTGER4
SCHEMBL2843551 0.81 PTGER4 (0.46) KLK7KLK5CA1CA2PTGER4
SCHEMBL2842850 0.80 KLK7 (0.44) KLK7KLK5CA1CA2PTGER4
SCHEMBL2845514 0.80 CTSS (0.48) KLK7KLK5PTGER4CASP3
SCHEMBL2845533 0.80 CTSS (0.48) KLK7KLK5PTGER4CASP3
SCHEMBL2845439 0.79 KLK7 (0.44) KLK7KLK5CA1CA2PTGER4

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 KLK7 2470/4885KLK5 1391/4885CA1 4613/4885

“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.