SCHEMBL2499102

SCHEMBL2499102

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.49
KLK5 Q9Y337 3/20 0.49
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
PTGER4 P35408 5/20 0.43
ABCB1 P08183 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MAPT P10636 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
SCHEMBL2495376 0.88 CPB1 (0.47) KLK7KLK5CTSSCTSLPTGER4
SCHEMBL2845514 0.85 CTSS (0.48) KLK7KLK5CTSSCTSLPTGER4
SCHEMBL2845533 0.85 CTSS (0.48) KLK7KLK5CTSSCTSLPTGER4
SCHEMBL12193390 0.81 PTGER4 (0.54) CTSSCTSLPTGER4ITGB3
SCHEMBL5652265 0.79 PTGER4 (0.68) CTSSCTSLPTGER4
SCHEMBL12193694 0.78 CTSS (0.46) KLK7KLK5CTSSCTSLPTGER4
SCHEMBL5654995 0.78 PTGER4 (0.59) CTSSCTSLPTGER4
SCHEMBL5823969 0.77 PTGER4 (0.47) CTSSCTSLPTGER4
SCHEMBL5653073 0.77 PTGER4 (0.49) CTSSCTSLPTGER4
SCHEMBL5653223 0.77 PTGER4 (0.51) CTSSCTSLPTGER4

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 KLK7 2470/4885KLK5 1391/4885CTSS 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.