SCHEMBL2848239

SCHEMBL2848239

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.49
DPP7 Q9UHL4 3/20 0.49
DPP4 P27487 2/20 0.49
DPP9 Q86TI2 2/20 0.49
CPB1 P15086 2/20 0.48
ANPEP P15144 1/20 0.47
CASP3 P42574 3/20 0.45
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL2844570 0.89 ANPEP (0.53) DPP8DPP7DPP4DPP9CPB1
SCHEMBL2840917 0.87 KLK5 (0.59) DPP8DPP7DPP4DPP9CASP3
Hydrochloric Acid SCHEMBL2843945 0.84 ANPEP (0.47) DPP8DPP7DPP4DPP9CPB1
SCHEMBL2845860 0.81 KLKB1 (0.42) DPP8DPP7DPP4DPP9CASP3
SCHEMBL3622112 0.78 PSMB5 (0.46) CPB1CASP3
Hydrochloric Acid SCHEMBL2849314 0.77 PSMB5 (0.45) CPB1CASP3
SCHEMBL14161287 0.76 CPB1 (0.78) CPB1CASP3CTSBCTSSCTSK
SCHEMBL13712268 0.76 CPB1 (0.78) CPB1CASP3CTSBCTSSCTSK
SCHEMBL10706890 0.75 DPP8 (0.54) DPP8DPP7DPP4DPP9ANPEP
SCHEMBL2841932 0.75 KLK7 (0.45) CASP3

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 DPP8 1091/4885DPP7 1239/4885DPP4 220/4885

“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.