SCHEMBL500056

SCHEMBL500056

COC(OC)c1ccc(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.39
PKM P14618 1/20 0.35
TRPC5 Q9UL62 1/20 0.32
AMY1A P0DUB6 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
GPR139 Q6DWJ6 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
SCHEMBL597230 0.84 AOC3 (0.33) APLNRPKMAMY1AIDO1TDO2
SCHEMBL6712921 0.79 APLNR (0.37) APLNRPKMGPR139
SCHEMBL31035431 0.79 MAPK1 (0.41) APLNR
SCHEMBL8807188 0.79 IDO1 (0.43) APLNRIDO1TDO2
SCHEMBL11864697 0.78 IDO1 (0.41) APLNRTRPC5IDO1TDO2
SCHEMBL25357916 0.78 L3MBTL1 (0.37)
SCHEMBL25358101 0.78 CA1 (0.40) APLNR
SCHEMBL20564216 0.78 MAPT (0.33) TRPC5IDO1TDO2
SCHEMBL9072518 0.77 APLNR (0.39) APLNRPKMGPR139
SCHEMBL9324049 0.76 NR3C2 (0.41)

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 85 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
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
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 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 (14 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 APLNR 2311/4885PKM 4663/4885TRPC5 3730/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 APLNR 1868/4885PKM 1251/4885TRPC5 4856/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA APLNR 2563/4885PKM 4816/4885TRPC5 3699/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 APLNR 2311/4885PKM 4663/4885TRPC5 3730/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA APLNR 2563/4885PKM 4816/4885TRPC5 3699/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA APLNR 2563/4885PKM 4816/4885TRPC5 3699/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA APLNR 2563/4885PKM 4816/4885TRPC5 3699/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA APLNR 2563/4885PKM 4816/4885TRPC5 3699/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF APLNR 2280/4885PKM 4790/4885TRPC5 3732/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 APLNR 2311/4885PKM 4663/4885TRPC5 3730/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 APLNR 2311/4885PKM 4663/4885TRPC5 3730/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA APLNR 4759/4885PKM 2537/4885TRPC5 4883/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA APLNR 2563/4885PKM 4816/4885TRPC5 3699/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA APLNR 2563/4885PKM 4816/4885TRPC5 3699/4885

“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.