SCHEMBL2843716

SCHEMBL2843716

O=C(O)CO[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.52
CASP3 P42574 3/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.49
EPHX1 P07099 1/20 0.49
CTSB P07858 3/20 0.48
CTSK P43235 3/20 0.48
CTSS P25774 2/20 0.48
TACR1 P25103 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 2/20 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
SCHEMBL20749075 0.85 CPB1 (0.58) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL28914414 0.85 CPB1 (0.58) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL28914412 0.85 CPB1 (0.58) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL19630135 0.85 CPB1 (0.58) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL6612597 0.82 EPHX1 (0.63) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL30482174 0.81 CASP3 (0.53) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL19086685 0.81 CASP3 (0.53) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL30963623 0.81 CASP3 (0.53) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL2848373 0.81 ALDH1A1 (0.58) CPB1CASP3ALDH1A1GAATSHR
SCHEMBL8322874 0.81 CPB1 (0.51) CPB1CASP3ALDH1A1GAATSHR

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 CPB1 1940/4885CASP3 3838/4885ALDH1A1 1007/4885

“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.