SCHEMBL5075331

SCHEMBL5075331

CC(C)(C)OC(=O)N1CCCC(CC2C(=O)OC(C)(C)OC2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
CTSD P07339 1/20 0.46
ACKR3 P25106 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
GLS O94925 2/20 0.43
FEN1 P39748 2/20 0.42
KDM1A O60341 1/20 0.42
SCN9A Q15858 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR6 P50406 3/20 0.38
KAT7 O95251 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
BCHE P06276 1/20 0.37
ALOX5AP P20292 1/20 0.37

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
SCHEMBL3100783 0.86 KDM4E (0.47) BACE1MAPTHPGDKDM4EPKM
SCHEMBL3092875 0.79 KDM4E (0.47) MAPTHPGDKDM4EPKM
SCHEMBL5255309 0.76 BACE1 (0.45) BACE1CTSDACKR3MEN1ALDH1A1
SCHEMBL5254909 0.76 BACE1 (0.45) BACE1CTSDACKR3MEN1ALDH1A1
SCHEMBL344915 0.75 NR1H2 (0.59) BACE1CTSDACKR3MEN1ALDH1A1
SCHEMBL9974300 0.75 MEN1 (0.56) BACE1CTSDACKR3MEN1ALDH1A1
SCHEMBL1785894 0.75 NR1H2 (0.59) BACE1CTSDACKR3MEN1ALDH1A1
SCHEMBL12125486 0.75 MEN1 (0.56) BACE1CTSDACKR3MEN1ALDH1A1
SCHEMBL13059808 0.75 MEN1 (0.56) BACE1CTSDACKR3MEN1ALDH1A1
SCHEMBL344916 0.75 NR1H2 (0.59) BACE1CTSDACKR3MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423012-B2 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7354895-B1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20060079484-A1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors LINSCHOTEN MARCEL 2006-04-13 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-20060079484-A1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors CPN1, CPA1, DNPEP BACE1 851/4885CTSD 237/4885ACKR3 2216/4885

“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.