SCHEMBL7204362

SCHEMBL7204362

NCCCC(NCCl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.50
GGT1 P19440 1/20 0.44
CPB2 Q96IY4 7/20 0.42
GSR P00390 1/20 0.41
RNPEP Q9H4A4 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
GNPAT O15228 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NOD1 Q9Y239 1/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35

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
SCHEMBL7196935 0.94 FOLH1 (0.57) FOLH1GGT1CPB2GSRRNPEP
SCHEMBL8768872 0.82 FOLH1 (0.47) FOLH1GGT1CPB2GSRRNPEP
SCHEMBL4951210 0.82 GGT1 (0.65) FOLH1GGT1CPB2GSRRNPEP
SCHEMBL7198357 0.82 FOLH1 (0.47) FOLH1GGT1CPB2GSRRNPEP
SCHEMBL146727 0.82 GGT1 (0.55) FOLH1GGT1CPB2GSRRNPEP
SCHEMBL6890284 0.82 GGT1 (0.55) FOLH1GGT1CPB2GSRRNPEP
SCHEMBL4951214 0.82 GGT1 (0.65) FOLH1GGT1CPB2GSRRNPEP
SCHEMBL28538677 0.81 FOLH1 (0.51) FOLH1GGT1CPB2GSRSLC6A5
SCHEMBL22776222 0.81 FOLH1 (0.51) FOLH1GGT1CPB2GSRSLC6A5
SCHEMBL22776223 0.81 FOLH1 (0.51) FOLH1GGT1CPB2GSRSLC6A5

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 FOLH1 39/4885GGT1 547/4885CPB2 2478/4885

“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.