SCHEMBL5887533

SCHEMBL5887533

CCCNCCCCNCCCCS(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
FABP4 P15090 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 5/20 0.35
NR3C2 P08235 5/20 0.35
PGR P06401 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PAOX Q6QHF9 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
RELA Q04206 4/20 0.34

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
SCHEMBL5887535 0.91 MAPT (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL9834726 0.76 ALDH1A1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL4746052 0.75 THRB (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL6413864 0.74 CA1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL9827142 0.73 ALDH1A1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL14472966 0.71 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL8520613 0.70 ALDH1A1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL9827152 0.70 LMNA (0.43) GAAPAOXLMNA
SCHEMBL3687291 0.69 L3MBTL1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL4746858 0.69 FABP4 (0.68) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982351-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-01-03 US disclosed
EP-1453787-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL Biomedical Corporation (US) 2004-09-08 EP disclosed
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2003-10-16 US disclosed
WO-2003050072-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL BIOMEDICAL CORPORATION (US) 2003-06-19 WO 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-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR CA1 2456/4885CA2 3641/4885MMP1 3282/4885

“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.