SCHEMBL7518601

SCHEMBL7518601

Cc1cc(C)c(S(=O)(=O)N(CCCCN)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
RAPGEF4 Q8WZA2 5/20 0.36
FABP4 P15090 1/20 0.34
SERPINE1 P05121 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7517054 0.87 F2 (0.41) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL7516866 0.85 F2 (0.40) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL7522685 0.85 F2 (0.40) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL4743601 0.83 F2 (0.38) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL14080753 0.81 F2 (0.37) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL14080669 0.81 F2 (0.37) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL14080626 0.81 F2 (0.37) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL4746857 0.81 SMN1; SMN2 (0.39) F2PRSS1PRSS2PRSS3CA1
SCHEMBL20537491 0.73 CNR2 (0.51) CA1CA2KEAP1NFE2L2SERPINE1
SCHEMBL4176535 0.72 KEAP1 (0.38) F2KEAP1NFE2L2

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 NPSR1 333/4885F2 4302/4885PRSS1 2628/4885

“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.