SCHEMBL7198069

SCHEMBL7198069

CCOC(=O)C(CCCN)NCO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.45
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CAD P27708 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOD1 Q9Y239 3/20 0.36
ACE P12821 1/20 0.34
SLC6A5 Q9Y345 1/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL7203547 0.86 ANPEP (0.38) CPB2CYP1A2SLC6A5SIRT6SIRT1
SCHEMBL7204000 0.85 CPB2 (0.44) CPB2CYP1A2KMT2APOLBCAD
SCHEMBL7203331 0.85 CPB2 (0.44) CPB2CYP1A2KMT2APOLBCAD
SCHEMBL7198455 0.83 CPB2 (0.43) CPB2CYP1A2KMT2APOLBCAD
SCHEMBL10296119 0.82 CPB2 (0.47) CPB2CYP1A2KMT2APOLBCAD
SCHEMBL25634935 0.82 CPB2 (0.47) CPB2CYP1A2KMT2APOLBCAD
SCHEMBL7199195 0.82 CPB2 (0.42) CPB2CYP1A2KMT2APOLBCAD
Water SCHEMBL7533665 0.81 ZDHHC7 (0.45) KMT2APOLBNOD1ACE
SCHEMBL5814130 0.79 SIRT6 (0.49) CPB2CYP1A2KMT2APOLBCAD
SCHEMBL5814126 0.79 SIRT6 (0.49) CPB2CYP1A2KMT2APOLBCAD

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-6602910-B2 Treating cancer in a patient comprising administering an effective amount of substantially purified D enantiomer of difluoromethylornithine ILEX ONCOLOGY, INC. 2003-08-05 US disclosed
US-20020045663-A1 D-enantiomer of DFMO and methods of use therefor ILEX ONCOLOGY, INC. (US) 2002-04-18 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-20020045663-A1 D-enantiomer of DFMO and methods of use therefor DHODH, DDT, HADHB CPB2 2478/4885CYP1A2 2332/4885KMT2A 1193/4885

“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.