SCHEMBL5887535

SCHEMBL5887535

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
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
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 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
SCHEMBL5887533 0.91 CA1 (0.42) MAPTGAAALOX12CA1CA2
SCHEMBL9834719 0.74 ALDH1A1 (0.65) GAACA1CA2MMP1MMP2
SCHEMBL8576092 0.73 MAPT (0.69) MAPTGAAALOX12CA1CA2
SCHEMBL8520613 0.73 ALDH1A1 (0.62) GAACA1CA2MMP1MMP2
SCHEMBL4746858 0.72 FABP4 (0.68) MAPTGAAALOX12CA1CA2
SCHEMBL14472966 0.71 CA1 (0.50) MAPTGAACA1CA2MMP1
SCHEMBL4747454 0.71 FABP4 (0.66) MAPTGAAALOX12CA1CA2
SCHEMBL9835947 0.71 LMNA (0.41) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL9827142 0.70 ALDH1A1 (0.62) GAACA1CA2MMP1MMP2
SCHEMBL10665522 0.69 FABP4 (0.48) MAPTGAACA1CA2MMP1

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 MAPT 4541/4885GAA 3463/4885ALOX12 400/4885

“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.