SCHEMBL7198286

SCHEMBL7198286

COC(=O)C(CCCN)NCCl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.39
ANPEP P15144 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LNPEP Q9UIQ6 4/20 0.33
ERAP2 Q6P179 3/20 0.33
ERAP1 Q9NZ08 2/20 0.33
CNR2 P34972 1/20 0.33
CPB2 Q96IY4 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
CYP1A2 P05177 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
SLC6A5 Q9Y345 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL7204000 0.86 CPB2 (0.44) FOLH1CPB2CYP1A2SLC6A5SIRT6
SCHEMBL7203547 0.84 ANPEP (0.38) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL7201866 0.82 CNR2 (0.40) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL7205241 0.82 ANPEP (0.37) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL7599625 0.82 ANPEP (0.37) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL12355211 0.81 ANPEP (0.41) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL12534428 0.81 ANPEP (0.36) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL22291193 0.79 ANPEP (0.39) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL22291195 0.79 ANPEP (0.39) FOLH1ANPEPCA1CA2LNPEP
SCHEMBL12890801 0.79 ANPEP (0.39) FOLH1ANPEPCA1CA2LNPEP

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 39/4885ANPEP 1519/4885CA1 3564/4885

“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.