SCHEMBL4812451

SCHEMBL4812451

NCCCC(N)(C(=O)O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.53
LMNA P02545 3/20 0.50
BLM P54132 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4812447 1.00 ODC1 (0.53) ODC1LMNABLMKDM4EMAPT
SCHEMBL4812444 1.00 ODC1 (0.53) ODC1LMNABLMKDM4EMAPT
SCHEMBL7203566 0.94 ODC1 (0.47) ODC1LMNABLMKDM4EMAPT
SCHEMBL7203565 0.94 ODC1 (0.47) ODC1LMNABLMKDM4EMAPT
SCHEMBL7201398 0.83 ODC1 (0.50) ODC1LMNABLMKDM4EMAPT
SCHEMBL7204349 0.83 ODC1 (0.50) ODC1LMNABLMKDM4EMAPT
SCHEMBL7204351 0.83 ODC1 (0.50) ODC1LMNABLMKDM4EMAPT
SCHEMBL7201395 0.83 ODC1 (0.50) ODC1LMNABLMKDM4EMAPT
SCHEMBL188441 0.81 FDPS (0.41) ODC1THRBKMT2ACYP1A2FDPS
SCHEMBL5704613 0.81 FDPS (0.41) ODC1THRBKMT2ACYP1A2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148627-A1 METHOD FOR PREPARATION OF DIFLUOROMETHYLORNITHINE LONZA LTD (CH) 2020-05-14 US disclosed
US-7345196-B1 Convenient process of manufacture for difluoromethylornithine and related compounds SABINSA CORPORATION (US) 2008-03-18 US disclosed
US-6998502-B1 Convenient process of manufacture for difluoromethylornithine and related compounds SABINSA CORPORATION (US) 2006-02-14 US disclosed
CN-1447686-A D-enantiomers of DFMO and methods of use thereof ILEX ONCOLOGY INC (US) 2003-10-08 CN disclosed
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-4560795-A α-Halomethyl derivatives of α-amino acids Merrell Dow France et Cie. (FR) 1985-12-24 US disclosed
US-4496588-A HALOMETHYL DERIVATIVES OF A-AMINO ACID MERRELL TORAUDE ET COMPAGNIE (FR) 1985-01-29 US disclosed
US-4438270-A DECARBOXYLASE INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1984-03-20 US disclosed
US-4399151-A USING A-SUBSTITUTERD AMINES OR A-SUBSTITUTED AMINO ACIDS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-16 US disclosed
US-4336054-A AMINO ACIDS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-06-22 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 (2 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 34/4885LMNA 3450/4885BLM 1907/4885
US-20200148627-A1 METHOD FOR PREPARATION OF DIFLUOROMETHYLORNITHINE SMYD3, MCM3, HLCS ODC1 4/4885LMNA 638/4885BLM 2803/4885

“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.