SCHEMBL10053173

SCHEMBL10053173

N#Cc1cccc(B2OCc3cc(Cl)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE1A P54750 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B3 P37058 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
P2RX1 P51575 1/20 0.34
PRF1 P14222 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL595765 0.84 PDE3A (0.47) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL596084 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL594859 0.81 CA1 (0.42) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL10053278 0.81 PDE4A (0.36) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL597066 0.78 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL595745 0.77 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL500064 0.75 CA1 (0.49) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL500424 0.74 CA1 (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL10053203 0.72 PDE4B (0.34) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL12589688 0.70 ESR2 (0.33) PDE4BPDE4APDE4CPDE4DMAPT

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
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
WO-2007131072-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 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 (1 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-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA PDE4B 2060/4885PDE4A 3014/4885PDE4C 3222/4885

“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.