SCHEMBL5397372

SCHEMBL5397372

CC(C)(OC1CCC(CNC(=O)c2cccnc2Oc2nonc2Cc2ccccc2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
PDE6D O43924 1/20 0.37
PDE6A P16499 1/20 0.37
PDE6G P18545 1/20 0.37
PDE6B P35913 1/20 0.37
PDE6C P51160 1/20 0.37
PDE6H Q13956 1/20 0.37

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
SCHEMBL5393619 0.88 MAPK8 (0.41) MAPK8GAATSHRHTTL3MBTL1
SCHEMBL5392047 0.86 MAPK8 (0.43) MAPK8GAATSHRHTTL3MBTL1
SCHEMBL5397802 0.85 MAPK8 (0.41) MAPK8GAATSHRHTTL3MBTL1
SCHEMBL5390550 0.85 MAPK8 (0.41) MAPK8GAATSHRHTTL3MBTL1
SCHEMBL5455994 0.83 MAPK8 (0.38) MAPK8GAATSHRHTTL3MBTL1
SCHEMBL5397365 0.81 GAA (0.42) MAPK8GAA
SCHEMBL5388420 0.80 MAPK8 (0.40) MAPK8GAATSHRHTTL3MBTL1
SCHEMBL5398268 0.80 KMT2A (0.48) MAPK8GAA
SCHEMBL5405986 0.79 MAPK8 (0.55) MAPK8
SCHEMBL5446249 0.78 MAPK8 (0.39) MAPK8GAATSHRHTTL3MBTL1

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 9 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-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 MAPK8 1563/4885GAA 181/4885TSHR 3831/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B MAPK8 3103/4885GAA 2336/4885TSHR 1435/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B MAPK8 3504/4885GAA 1502/4885TSHR 491/4885

“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.