SCHEMBL5384686

SCHEMBL5384686

CC(OC1CCC(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.64
PDE4B Q07343 1/20 0.64
PDE4C Q08493 1/20 0.64
PDE4D Q08499 1/20 0.64
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
MAPK8 P45983 2/20 0.41
KDR P35968 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL5384670 1.00 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7371576 0.87 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5390545 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL5397797 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL5393537 0.86 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5388414 0.85 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5461131 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5461120 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5393415 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL5394259 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US claimed
EP-1373258-B1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-09-28 EP claimed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US claimed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC 2005-03-03 US disclosed
US-6828333-B2 Treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC. 2004-12-07 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 (3 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 10/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B PDE4A 2/4885PDE4B 3/4885PDE4C 25/4885

“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.