SCHEMBL595037

SCHEMBL595037

Clc1cccc(B2OCCc3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HTR7 P34969 1/20 0.34
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
FADS1 O60427 1/20 0.32
HTR2C P28335 2/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL596553 0.91 CA12 (0.37) CA1CA2CA12CA9HTR7
SCHEMBL10053214 0.89 CA12 (0.37) CA1CA2CA12CA9HTR7
SCHEMBL14390488 0.89 CA12 (0.36) CA1CA2CA12CA9HTR7
SCHEMBL500424 0.84 CA1 (0.43) CA1CA2CA12CA9HTR7
SCHEMBL500934 0.82 CA1 (0.56) CA1CA2CA12CA9ORAI1
SCHEMBL10053211 0.82 CA1 (0.33) CA1CA2
SCHEMBL10053186 0.82 CA1 (0.46) CA1CA2CA12CA9HTR7
SCHEMBL10053284 0.82 CA1 (0.46) CA1CA2CA12CA9HTR7
SCHEMBL10053288 0.81 PNMT (0.34) HTR7HTR2CNPC1TP53TSHR
SCHEMBL10053286 0.78 DRD1 (0.36) HTR2CNPC1TSHRRAB9ASMN1; SMN2

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 39 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
US-7465836-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-12-16 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
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 (8 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 1368/4885CA12 992/4885
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 CA1 3204/4885CA2 1752/4885CA12 1325/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use BTD, GAA, GBA3 CA1 897/4885CA2 491/4885CA12 277/4885

“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.