SCHEMBL10053172

SCHEMBL10053172

CN(C)Cc1cccc(B2OCc3cc(F)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PDE3A Q14432 1/20 0.43
HTR7 P34969 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A3 Q01959 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NOS1 P29475 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
SCD5 Q86SK9 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL10053271 0.91 CA1 (0.41) CA1CA2PDE3ATAAR1OPRM1
SCHEMBL10053174 0.88 CA1 (0.41) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053144 0.86 CA1 (0.46) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053149 0.86 CA1 (0.46) CA1CA2PDE3ATAAR1PDE4A
SCHEMBL10053152 0.86 MEN1 (0.41) CA1CA2PDE3AALDH1A1MEN1
SCHEMBL12589683 0.84 CA1 (0.46) CA1CA2PDE3ATAAR1PDE4A
SCHEMBL597009 0.84 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10077708 0.83 CA1 (0.43) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053184 0.81 CA1 (0.36) CA1CA2PDE3AALDH1A1MEN1
SCHEMBL10053160 0.81 CA1 (0.47) CA1CA2PDE3ATAAR1SLC6A3

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 CA1 838/4885CA2 535/4885PDE3A 3530/4885

“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.