SCHEMBL6844053

SCHEMBL6844053

COc1ccc(C2=NN(Cc3cccc(NC(=O)OCCN4CCOCC4)c3)C(=O)SC2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.72
MET P08581 6/20 0.72
PDE4A P27815 2/20 0.72
PDE4B Q07343 2/20 0.72
PDE4C Q08493 2/20 0.72
PDE3B Q13370 2/20 0.72
PDE3A Q14432 2/20 0.72
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL6841864 0.96 MET (0.74) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6841728 0.93 MET (0.75) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6842260 0.92 PDE4B (0.73) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6841791 0.92 PDE4D (0.60) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6841515 0.91 PDE4B (0.72) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6844077 0.89 MET (0.77) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6657249 0.89 PDE4D (0.62) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6842253 0.87 MET (0.75) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6844178 0.87 PDE4D (0.56) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6844136 0.87 MET (0.74) PDE4DMETPDE4APDE4BPDE4C

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-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4D 12/4885MET 4676/4885PDE4A 1/4885

“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.