SCHEMBL8076579

SCHEMBL8076579

CC(=O)OCc1cc(-c2cccc(Cl)c2)c2nc(N)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
PDE4D Q08499 2/20 0.39
IKBKB O14920 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PTPN1 P18031 1/20 0.38
MIF P14174 1/20 0.38
S1PR4 O95977 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ALOX5 P09917 1/20 0.37
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 1/20 0.36
FBP1 P09467 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
SLC9A1 P19634 1/20 0.35
DHODH Q02127 1/20 0.35
TDO2 P48775 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL11920620 0.91 IKBKB (0.39) PDE4DIKBKBPDE4APDE4BPDE4C
SCHEMBL2917210 0.90 PDE4D (0.42) PDE4DIKBKBPDE4APDE4BPDE4C
SCHEMBL2918546 0.82 TDO2 (0.41) IKBKBPDE4BMIFCA12CA9
SCHEMBL2920646 0.78 MAPK14 (0.43) IKBKBNOTUMMAPT
SCHEMBL2944377 0.77 TDO2 (0.39) PDE4DPDE4APDE4BTDO2MAPT
SCHEMBL2921850 0.75 PDE4D (0.42) PTGS2PDE4DPDE4APDE4BPDE4C
SCHEMBL13846467 0.75 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CTDO2
SCHEMBL2947213 0.71 MIF (0.38) PDE4DPDE4APDE4BPDE4CMIF
SCHEMBL2947373 0.69 PDE4D (0.61) PDE4DPDE4BS1PR4KMT2AFBP1
SCHEMBL2944376 0.69 THRB (0.39) PDE4BMIFS1PR4TRPM8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883833-B2 Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-11-11 US disclosed
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 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 (2 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-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B PTGS2 191/4885PDE4D 4/4885IKBKB 253/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PTGS2 177/4885PDE4D 5/4885IKBKB 476/4885

“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.