SCHEMBL7516875

SCHEMBL7516875

CCCN(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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
UGT1A7 Q9HAW7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
SERPINE1 P05121 1/20 0.38
CA1 P00915 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL7513482 0.95 CA12 (0.41) CA2CA12CA9RAB9ASMN1; SMN2
SCHEMBL7509603 0.95 CA1 (0.41) CA2SERPINE1CA1MMP1MMP2
SCHEMBL7509594 0.95 CA1 (0.41) CA2SERPINE1CA1MMP1MMP2
SCHEMBL7518577 0.95 CA1 (0.41) CA2SERPINE1CA1MMP1MMP2
SCHEMBL14080566 0.92 KMT2A (0.41) CA2SMN1; SMN2SERPINE1CA1MMP1
SCHEMBL14080613 0.92 KMT2A (0.41) CA2SMN1; SMN2SERPINE1CA1MMP1
SCHEMBL14080627 0.92 KMT2A (0.41) CA2SMN1; SMN2SERPINE1CA1MMP1
SCHEMBL14080720 0.91 CNR2 (0.41) CA2SMN1; SMN2SERPINE1CA1MMP1
SCHEMBL7523657 0.88 PKM (0.40) CA2SMN1; SMN2SERPINE1CA1MMP1
SCHEMBL14080753 0.87 F2 (0.37) CA2SMN1; SMN2SERPINE1CA1MMP1

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 CA2 984/4885CA12 3973/4885CA9 3268/4885

“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.