SCHEMBL10026328

SCHEMBL10026328

CCCC[C@H](NS(=O)(=O)c1ccc2cc(N(C)C)ccc2c1)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
PADI6 Q6TGC4 1/20 0.50
PADI4 Q9UM07 1/20 0.50
PADI2 Q9Y2J8 1/20 0.50
BMP1 P13497 1/20 0.47
POLB P06746 3/20 0.45
NPY5R Q15761 1/20 0.43
TP53 P04637 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL27926558 0.94 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL2703295 0.92 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL28104364 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL2703298 0.92 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL2702104 0.91 BMP1 (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL10026322 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL16124204 0.86 MMP2 (0.56) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL16124246 0.81 PADI4 (0.72) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL27908420 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL7299650 0.75 NPY5R (0.52) POLBNPY5RMMP2MMP9MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-03 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-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 PDE4A 12/4885PDE4B 13/4885PDE4C 10/4885

“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.