SCHEMBL2840917

SCHEMBL2840917

COc1ccc(COC(=O)[C@@H]2CCC[C@@H]2NC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 5/20 0.59
KLK7 P49862 4/20 0.59
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CACNA1B Q00975 2/20 0.47
MAPT P10636 1/20 0.46
HTRA1 Q92743 1/20 0.44
CASP3 P42574 1/20 0.42
CXCR3 P49682 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL2848265 0.90 KLK5 (0.64) KLK5KLK7ITGB3ITGA2BMAPT
SCHEMBL2848239 0.87 DPP8 (0.49) CASP3DPP4DPP8DPP9DPP7
SCHEMBL2845860 0.83 KLKB1 (0.42) KLK5KLK7CASP3DPP4DPP8
SCHEMBL29551992 0.82 KLK7 (0.61) KLK5KLK7ITGB3ITGA2BMAPT
SCHEMBL2496331 0.79 CACNA1B (0.51) CACNA1B
SCHEMBL2841932 0.77 KLK7 (0.45) KLK5KLK7CASP3
SCHEMBL3622112 0.77 PSMB5 (0.46) KLK5KLK7CASP3
SCHEMBL16798514 0.77 MAPT (0.61) KLK5KLK7ITGB3ITGA2BMAPT
SCHEMBL16798512 0.77 MAPT (0.61) KLK5KLK7ITGB3ITGA2BMAPT
SCHEMBL13120843 0.77 KLK7 (0.63) KLK5KLK7ITGB3ITGA2BMAPT

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 KLK5 1391/4885KLK7 2470/4885ITGB3 2266/4885

“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.