SCHEMBL4530661

SCHEMBL4530661

COc1ccc(Cc2ccc(N(CC(=O)O)C(C)=O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CTSA P10619 7/20 0.38
PDE4D Q08499 2/20 0.36
SLC6A9 P48067 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FBP1 P09467 1/20 0.35
PDE4B Q07343 3/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
SMPD1 P17405 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL4537370 0.93 PDE4D (0.40) MAPTTHRBCTSAPDE4DSLC6A9
SCHEMBL3465778 0.93 MAPT (0.40) MAPTTHRBCTSAPDE4DTDP1
SCHEMBL3467841 0.90 SLC6A9 (0.39) MAPTTHRBCTSAPDE4DSLC6A9
SCHEMBL3467814 0.90 MAPT (0.39) MAPTTHRBCTSAPDE4DSLC6A9
SCHEMBL4323960 0.85 PDE4B (0.41) MAPTTHRBPDE4DPDE4B
SCHEMBL4336293 0.84 PDE4D (0.41) MAPTTHRBCTSAPDE4DFBP1
SCHEMBL3466402 0.83 SLC6A9 (0.40) MAPTCTSAPDE4DSLC6A9PDE4B
SCHEMBL3476910 0.83 PDE4D (0.40) MAPTTHRBCTSAPDE4DFBP1
SCHEMBL3477920 0.82 PDE4D (0.41) CTSAPDE4DHCRTR1HCRTR2FFAR1
SCHEMBL3795483 0.82 PDE4B (0.39) MAPTTHRBPDE4DPDE4B

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
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MAPT 4316/4885THRB 3357/4885CTSA 4056/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MAPT 4316/4885THRB 3357/4885CTSA 4056/4885

“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.