SCHEMBL2845533

SCHEMBL2845533

Cn1c(C(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)O)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
PTGER4 P35408 5/20 0.45
CTSL P07711 1/20 0.44
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
CASP3 P42574 3/20 0.42
TACR2 P21452 1/20 0.41

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 1.00 CTSS (0.48) CTSSPTGER4CTSLKLK7KLK5
SCHEMBL12193694 0.92 CTSS (0.46) CTSSPTGER4CTSLKLK7KLK5
SCHEMBL12193688 0.92 CTSS (0.41) CTSSCTSLTACR2
SCHEMBL12193693 0.91 CTSS (0.42) CTSSPTGER4CTSLKLK7KLK5
SCHEMBL2495376 0.90 CPB1 (0.47) CTSSPTGER4CTSLKLK7KLK5
SCHEMBL3626382 0.90 CTSS (0.45) CTSSPTGER4CTSLKLK7KLK5
SCHEMBL12193690 0.89 CTSS (0.41) CTSSCTSLTACR2
SCHEMBL2845439 0.89 KLK7 (0.44) PTGER4KLK7KLK5CASP3
SCHEMBL13512993 0.88 CTSS (0.42) CTSSCTSLTACR2
SCHEMBL2841937 0.86 KLK7 (0.44) PTGER4KLK7KLK5CASP3

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 CTSS 4049/4885PTGER4 1/4885CTSL 3240/4885

“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.