SCHEMBL2844570

SCHEMBL2844570

N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.53
DPP8 Q6V1X1 3/20 0.52
DPP7 Q9UHL4 3/20 0.52
DPP4 P27487 2/20 0.52
DPP9 Q86TI2 2/20 0.52
CASP3 P42574 3/20 0.51
CPB1 P15086 2/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL2848239 0.89 DPP8 (0.49) ANPEPDPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL2843945 0.89 ANPEP (0.47) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL2848265 0.82 KLK5 (0.64) CASP3CTSK
SCHEMBL4496128 0.81 CASP3 (0.62) CASP3CPB1MEN1KMT2ACTSB
SCHEMBL24515807 0.81 CASP3 (0.62) CASP3CPB1MEN1KMT2ACTSB
SCHEMBL2844434 0.81 MMP2 (0.48) DPP8DPP7DPP4DPP9CASP3
SCHEMBL2849324 0.80 PTGER4 (0.47) CASP3
SCHEMBL2842784 0.79 SIRT5 (0.47) CASP3KMT2ACTSK
SCHEMBL5345577 0.79 CASP3 (0.62) CASP3CPB1MEN1KMT2ACTSB
SCHEMBL22204568 0.79 CASP3 (0.62) CASP3CPB1MEN1KMT2ACTSB

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 ANPEP 878/4885DPP8 1091/4885DPP7 1239/4885

“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.