SCHEMBL596202

SCHEMBL596202

COCOCc1ccc(Oc2cccc(C#N)c2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
AR P10275 2/20 0.39
EPAS1 Q99814 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PPARG P37231 1/20 0.36
VEGFA P15692 1/20 0.35
SCN9A Q15858 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
PGR P06401 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL596000 0.89 NAAA (0.43) NAAAARPDE4APDE4BPDE4C
SCHEMBL597187 0.83 NAAA (0.49) NAAAPGRALDH1A1TSHR
SCHEMBL30879482 0.80 LTA4H (0.42) NAAAPDE4APDE4BPDE4CPDE4D
SCHEMBL596356 0.79 EPAS1 (0.46) NAAAAREPAS1PDE4APDE4B
SCHEMBL594828 0.79 PGR (0.39) NAAAARPDE4APDE4BPDE4C
SCHEMBL595741 0.77 SLC6A4 (0.38) NAAAPPARGHTR2AKCNH2ALDH1A1
SCHEMBL500818 0.74 SLC6A4 (0.34) ARPGRHTR2AKCNH2ALDH1A1
SCHEMBL18641303 0.74 LTA4H (0.53) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL597232 0.72 MAOB (0.43) ARPDE4BALDH1A1
SCHEMBL595689 0.72 LTA4H (0.41) NAAAPGRALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
EP-3424932-B1 BORONOPHTHALIDES FOR THERAPEUTIC USE ANACOR PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
US-20210070780-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190330245-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2019-10-31 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-05-30 US disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
EP-1853251-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 US disclosed
WO-2006089067-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-24 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 (13 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 NAAA 3907/4885AR 2242/4885EPAS1 4277/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 NAAA 1191/4885AR 4757/4885EPAS1 1446/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885AR 4053/4885EPAS1 1222/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 NAAA 3907/4885AR 2242/4885EPAS1 4277/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885AR 4053/4885EPAS1 1222/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885AR 4053/4885EPAS1 1222/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885AR 4053/4885EPAS1 1222/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885AR 4053/4885EPAS1 1222/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF NAAA 3530/4885AR 4127/4885EPAS1 1017/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 NAAA 3907/4885AR 2242/4885EPAS1 4277/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 NAAA 3907/4885AR 2242/4885EPAS1 4277/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885AR 4053/4885EPAS1 1222/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885AR 4053/4885EPAS1 1222/4885

“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.