SCHEMBL3469930

SCHEMBL3469930

COC(=O)c1ccc(B2OC3(C)CC3(C)O2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
DGAT1 O75907 1/20 0.44
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.36
LCK P06239 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 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
SCHEMBL1083587 0.89 DGAT1 (0.55) MAPK1DGAT1USP30KDM4EL3MBTL1
SCHEMBL30135556 0.89 DGAT1 (0.55) MAPK1DGAT1USP30KDM4EL3MBTL1
SCHEMBL27935412 0.81 MAPK1 (0.43) MAPK1DGAT1USP30KDM4EL3MBTL1
SCHEMBL10442163 0.79 MAPK1 (0.44) MAPK1DGAT1USP30KDM4EL3MBTL1
SCHEMBL1912346 0.74 USP30 (0.56) DGAT1USP30GABRPGABRDGABRA1
SCHEMBL30658717 0.74 USP30 (0.56) DGAT1USP30GABRPGABRDGABRA1
SCHEMBL16611149 0.74 DGAT1 (0.49) DGAT1USP30KDM4EGABRPGABRD
SCHEMBL2799277 0.72 DGAT1 (0.49) MAPK1DGAT1USP30KDM4EL3MBTL1
SCHEMBL2640279 0.72 DGAT1 (0.49) DGAT1USP30ALDH1A1
SCHEMBL1557165 0.71 USP30 (0.51) DGAT1USP30

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 5 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
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP 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 MAPK1 2386/4885DGAT1 868/4885USP30 2256/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MAPK1 2386/4885DGAT1 868/4885USP30 2256/4885

“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.