SCHEMBL5457072

SCHEMBL5457072

CC(Oc1ccc(CNC(=O)c2cccnc2Oc2cccc([N+](=O)[O-])c2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.55
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5387204 1.00 MAPK8 (0.55) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5390864 0.89 PDE4A (0.70) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5394111 0.87 MAPK8 (0.60) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5453356 0.87 MAPK8 (0.60) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL7366445 0.83 MAPK8 (0.55) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL5388808 0.83 PDE4A (0.67) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5450429 0.83 PDE4A (0.67) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL7366272 0.81 MAPK8 (0.54) MAPK8HPGDKMT2AALDH1A1
SCHEMBL5386704 0.81 PDE4A (0.62) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL6850749 0.81 PDE4A (0.57) MAPK8PDE4APDE4BPDE4CPDE4D

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 8 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
EP-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP claimed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US claimed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 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 MAPK8 1563/4885PDE4A 1/4885PDE4B 2/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B MAPK8 3103/4885PDE4A 1/4885PDE4B 2/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B MAPK8 3504/4885PDE4A 2/4885PDE4B 3/4885

“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.