SCHEMBL7518577

SCHEMBL7518577

CCN(CCCCCN(CCCCN(CCCCCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
SERPINE1 P05121 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL7509594 1.00 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL7509603 1.00 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL7516875 0.95 CA2 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL14080627 0.94 KMT2A (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL14080613 0.94 KMT2A (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL14080566 0.94 KMT2A (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL7523657 0.93 PKM (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL14080720 0.92 CNR2 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL7516693 0.91 SERPINE1 (0.37) CA1CA2MMP1MMP2MMP9
SCHEMBL14080669 0.91 F2 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 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 (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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment SRM, SLC7A1, CATSPER1 CA1 1798/4885CA2 984/4885MMP1 2930/4885

“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.