SCHEMBL7198360

SCHEMBL7198360

NCCC[C@@](N)(CO)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.67
ARG1 P05089 9/20 0.60
ARG2 P78540 6/20 0.60
LMNA P02545 2/20 0.47
BLM P54132 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 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
SCHEMBL7198363 1.00 ODC1 (0.67) ODC1ARG1ARG2LMNABLM
SCHEMBL7198367 1.00 ODC1 (0.67) ODC1ARG1ARG2LMNABLM
Hydrochloric Acid SCHEMBL10780770 0.98 ODC1 (0.64) ODC1ARG1ARG2LMNABLM
Hydrochloric Acid SCHEMBL10550647 0.98 ODC1 (0.64) ODC1ARG1ARG2LMNABLM
SCHEMBL7198302 0.93 ARG1 (0.63) ODC1ARG1ARG2LMNABLM
SCHEMBL7198304 0.93 ARG1 (0.63) ODC1ARG1ARG2LMNABLM
SCHEMBL4884638 0.80 ODC1 (0.64) ODC1ARG1ARG2LMNABLM
SCHEMBL7203150 0.80 ODC1 (0.64) ODC1ARG1ARG2LMNABLM
SCHEMBL996766 0.80 ODC1 (1.00) ODC1ARG1ARG2LMNABLM
SCHEMBL3831417 0.80 ODC1 (1.00) ODC1ARG1ARG2LMNABLM

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 6 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
US-4695588-A DECARBOXYLASE INHIBITORS MERCK & CO., INC. (US) 1987-09-22 US disclosed
US-4325961-A FLUOROMETHYLHISTIDINE, ESTERS, AND SALTS MERCK & CO., INC. (US) 1982-04-20 US disclosed
US-4288601-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUND USING SULFUR TETRAFLUORIDE AND BORON TRIFLUORIDE IN HYDROFLUORIC ACID MERCK & CO., INC. (US) 1981-09-08 US disclosed
US-4215221-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUNDS USING SULFUR TETRAFLUORIDE IN HYDROFLUORIC ACID AND ALUMINUM CHLORIDE MERCK & CO., INC. (US) 1980-07-29 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-20020045663-A1 D-enantiomer of DFMO and methods of use therefor DHODH, DDT, HADHB ODC1 34/4885ARG1 605/4885ARG2 819/4885

“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.