SCHEMBL500424

SCHEMBL500424

Clc1cccc(B2OCc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
HTR7 P34969 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CASP6 P55212 1/20 0.31
FADS1 O60427 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL10053211 0.84 CA1 (0.33) CA1CA2
SCHEMBL595037 0.84 CA1 (0.46) CA1CA2HTR7NPC1TP53
SCHEMBL596553 0.82 CA12 (0.37) CA1CA2HTR7SMN1; SMN2CA12
SCHEMBL500064 0.82 CA1 (0.49) CA1CA2HTR7RAB9AFADS1
SCHEMBL596056 0.82 CA1 (0.39) CA1CA2RAB9ACA12CA9
SCHEMBL596495 0.81 CA1 (0.47) CA1CA2TSHRCA12CA9
SCHEMBL500078 0.81 CA1 (0.53) CA1CA2CA12CA9PDE4A
SCHEMBL10053280 0.81 CA1 (0.43) CA1CA2HTR7NPC1TSHR
SCHEMBL14001035 0.81 CA1 (0.43) CA1CA2CA12CA9
SCHEMBL500341 0.81 CA1 (0.43) CA1CA2HTR7SMN1; SMN2CA12

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-03-09 US disclosed
US-9572823-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9566290-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9566289-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9549938-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-08-11 US disclosed
US-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-07-21 US disclosed
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-02 US disclosed
US-9353133-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-7465836-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 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-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
EP-1638578-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2006-03-29 EP disclosed
WO-2005013892-A9 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2005-04-14 WO disclosed
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, LLC 2005-03-10 US disclosed
WO-2005013892-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2005-02-17 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 (9 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-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885HTR7 3129/4885
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885HTR7 3129/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885HTR7 3129/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885HTR7 3129/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 CA1 3204/4885CA2 1752/4885HTR7 3849/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885HTR7 3129/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA CA1 838/4885CA2 535/4885HTR7 4403/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885HTR7 3129/4885
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use BTD, GAA, GBA3 CA1 897/4885CA2 491/4885HTR7 4403/4885

“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.