SCHEMBL3346597

SCHEMBL3346597

CC(C)(O)C(C)(C)O.Nc1ccc(B(O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36

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
SCHEMBL113132 0.88 NOS3 (0.44) NOS3NOS2KDM4EGABRPGABRD
SCHEMBL29457387 0.88 NOS3 (0.44) NOS3NOS2KDM4EGABRPGABRD
Hydrochloric Acid SCHEMBL29950773 0.86 NOS3 (0.43) NOS3NOS2KDM4EHSD17B10GABRP
Hydrochloric Acid SCHEMBL16936348 0.86 NOS3 (0.43) NOS3NOS2KDM4EHSD17B10GABRP
SCHEMBL28915991 0.79 ALOX5AP (0.33) HDAC1HDAC6
SCHEMBL395314 0.78 KDM4E (0.36) NOS3NOS2KDM4EHSD17B10GABRP
SCHEMBL2722857 0.77 F11 (0.39) CA2LPLLIPG
SCHEMBL28617102 0.75 CXCR1 (0.37) CA2LPLLIPG
SCHEMBL28470750 0.75 CA2 (0.57) KDM4ECA2LPLLIPGENPP2
SCHEMBL28525520 0.75 CA2 (0.57) KDM4ECA2LPLLIPGENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929342-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2022-08-19 CN disclosed
US-8877816-B2 4-(or 5-) substituted catechol derivatives DECODE GENETICS EHF (IS) 2014-11-04 US disclosed
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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2009067597-A1 4- (OR 5-) SUBSTITUTED CATECHOL DERIVATIVES DECODE GENETICS EHF (IS) 2009-05-28 WO 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
US-20090131530-A1 4- (OR 5-) SUBSTITUTED CATECHOL DERIVATIVES 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 (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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B NOS3 252/4885NOS2 364/4885KDM4E 548/4885
US-20090131530-A1 4- (OR 5-) SUBSTITUTED CATECHOL DERIVATIVES PDE4A, PDE4B, PDE3B NOS3 144/4885NOS2 191/4885KDM4E 260/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B NOS3 252/4885NOS2 364/4885KDM4E 548/4885

“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.