SCHEMBL2495376

SCHEMBL2495376

COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.47
PTGER4 P35408 5/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.44
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CPB2 Q96IY4 1/20 0.40

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
SCHEMBL2845514 0.90 CTSS (0.48) PTGER4CTSSCTSLKLK7KLK5
SCHEMBL2845533 0.90 CTSS (0.48) PTGER4CTSSCTSLKLK7KLK5
SCHEMBL2499102 0.88 KLK7 (0.49) PTGER4CTSSCTSLKLK7KLK5
SCHEMBL12193390 0.83 PTGER4 (0.54) CPB1PTGER4CTSSCTSLCA1
SCHEMBL12193688 0.83 CTSS (0.41) CTSSCTSL
SCHEMBL12193694 0.83 CTSS (0.46) PTGER4CTSSCTSLKLK7KLK5
SCHEMBL12193693 0.81 CTSS (0.42) PTGER4CTSSCTSLKLK7KLK5
SCHEMBL5654995 0.81 PTGER4 (0.59) CPB1PTGER4CTSSCTSLCPB2
SCHEMBL5652265 0.81 PTGER4 (0.68) CPB1PTGER4CTSSCTSLCPB2
SCHEMBL3626382 0.80 CTSS (0.45) PTGER4CTSSCTSLKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
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 CPB1 1940/4885PTGER4 1/4885CTSS 4049/4885

“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.