SCHEMBL8255237

SCHEMBL8255237

O=C(O)[C@H](CC1CCCCC1)N[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.48
LTA4H P09960 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
BCHE P06276 4/20 0.45
CCR1 P32246 2/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL5869269 1.00 CPB2 (0.48) CPB2LTA4HMMEACECPA1
SCHEMBL8249114 0.78 MME (0.56) LTA4HMMEACECTSSCTSL
SCHEMBL5869478 0.78 MME (0.56) LTA4HMMEACECTSSCTSL
SCHEMBL8225317 0.76 GRN (0.57) CPB2LTA4HMMEACECPA1
SCHEMBL23004918 0.75 LTA4H (0.55) CPB2LTA4HMMEACECPA1
SCHEMBL11896293 0.75 LTA4H (0.55) CPB2LTA4HMMEACECPA1
SCHEMBL11896295 0.75 LTA4H (0.55) CPB2LTA4HMMEACECPA1
SCHEMBL18127223 0.75 GRN (0.69) LTA4HMMEACECPA1ACE2
SCHEMBL13957700 0.75 GRN (0.49) CPB2LTA4HGRNSORT1CTSS
SCHEMBL12373391 0.74 EPHX2 (0.55) BCHECNR1CNR2EPHX2

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CPB2 16/4885LTA4H 1191/4885MME 11/4885

“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.