SCHEMBL5453356

SCHEMBL5453356

COc1cccc(Oc2ncccc2C(=O)NCc2ccc(OC(C)C(=O)O)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.60
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 3/20 0.58
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL5394111 1.00 MAPK8 (0.60) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL5388914 0.88 PDE4A (0.75) MAPK8HPGDLMNAKMT2APDE4A
SCHEMBL5388925 0.88 PDE4A (0.75) MAPK8HPGDLMNAKMT2APDE4A
SCHEMBL5450429 0.87 PDE4A (0.67) MAPK8HPGDLMNASMN1; SMN2PDE4A
SCHEMBL5388808 0.87 PDE4A (0.67) MAPK8HPGDLMNASMN1; SMN2PDE4A
SCHEMBL5387204 0.87 MAPK8 (0.55) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL5457072 0.87 MAPK8 (0.55) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL5386704 0.85 PDE4A (0.62) MAPK8HPGDLMNASMN1; SMN2PDE4A
SCHEMBL6850749 0.85 PDE4A (0.57) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL5386692 0.85 PDE4A (0.62) MAPK8HPGDLMNASMN1; SMN2PDE4A

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 1563/4885HPGD 177/4885LMNA 4413/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B MAPK8 3103/4885HPGD 978/4885LMNA 2703/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B MAPK8 3504/4885HPGD 472/4885LMNA 2403/4885

“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.