SCHEMBL7198486

SCHEMBL7198486

C#C[C@@](N)(CCCN)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CPB2 Q96IY4 2/20 0.37
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
PKM P14618 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ODC1 P11926 2/20 0.33
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7198481 1.00 CYP1A2 (0.42) CYP1A2MEN1KMT2ACPB2CYP4F2
SCHEMBL7201464 0.83 ODC1 (0.34) MAPTODC1KDM4ELMNARAB9A
SCHEMBL7201462 0.83 ODC1 (0.34) MAPTODC1KDM4ELMNARAB9A
SCHEMBL11490836 0.82 MEN1 (0.37) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL7198413 0.81 MEN1 (0.39) CYP1A2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL11407302 0.80 CYP1A2 (0.42) CYP1A2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL7201472 0.79 MEN1 (0.37) MEN1KMT2ACPB2CYP4F2CYP4A11
SCHEMBL27593969 0.79 MEN1 (0.37) MEN1KMT2ACPB2CYP4F2CYP4A11
SCHEMBL25169854 0.77 CYP1A2 (0.48) CYP1A2MEN1KMT2ACPB2CYP4F2
SCHEMBL7198049 0.75 CYP1A2 (0.47) CYP1A2MEN1KMT2ACPB2CYP4F2

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 CYP1A2 2332/4885MEN1 164/4885KMT2A 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.