SCHEMBL7522685

SCHEMBL7522685

Cc1cc(C)c(S(=O)(=O)N(CCCCN)CCCCCN)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
FABP4 P15090 1/20 0.36
RAPGEF4 Q8WZA2 3/20 0.36
PKM P14618 1/20 0.35
CHRM2 P08172 1/20 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
SCHEMBL7516866 1.00 F2 (0.40) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7517054 0.98 F2 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL14080626 0.92 F2 (0.37) F2PRSS1PRSS2PRSS3CA1
SCHEMBL14080669 0.92 F2 (0.37) F2PRSS1PRSS2PRSS3CA1
SCHEMBL4746857 0.92 SMN1; SMN2 (0.39) F2PRSS1PRSS2PRSS3CA1
SCHEMBL14080753 0.92 F2 (0.37) F2PRSS1PRSS2PRSS3CA1
SCHEMBL4743601 0.91 F2 (0.38) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7513482 0.85 CA12 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7509594 0.85 CA1 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7509603 0.85 CA1 (0.41) F2PRSS1PRSS2PRSS3CA1

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 F2 4302/4885PRSS1 2628/4885PRSS2 4401/4885

“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.