SCHEMBL500200

SCHEMBL500200

Fc1cccc(B2OCCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ACHE P22303 1/20 0.37
NFE2L2 Q16236 2/20 0.35
PARP1 P09874 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PLA2G7 Q13093 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6830992 0.92 SMN1; SMN2 (0.38) CES2CES1ACHENFE2L2PARP1
SCHEMBL5892514 0.87 HTR7 (0.39) CES2CES1
SCHEMBL5892480 0.81 ACHE (0.36) CES2CES1ACHENFE2L2PARP1
SCHEMBL7858647 0.80 CES2 (0.41) CES2CES1ACHENFE2L2PARP1
SCHEMBL13136869 0.76
SCHEMBL500771 0.75 ACHE (0.44) ACHENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3192035 0.75 CYP3A4 (0.44) MAOBCYP3A4MAPK1CA1CA2
SCHEMBL500331 0.75 ALDH1A1 (0.37) PARP1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3190549 0.75 CA12 (0.44) ACHEPARP1CYP3A4CA1CA2
SCHEMBL10379428 0.75 CES2 (0.42) CES2CES1ACHENFE2L2PARP1

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 38 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
CN-102532180-B The little molecule of boracic 安纳考尔医药公司 2016-06-29 CN disclosed
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-02 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-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
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
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 CES2 3914/4885CES1 4650/4885ACHE 4839/4885
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CES2 3914/4885CES1 4650/4885ACHE 4839/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CES2 3914/4885CES1 4650/4885ACHE 4839/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CES2 3914/4885CES1 4650/4885ACHE 4839/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 CES2 1344/4885CES1 1667/4885ACHE 978/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CES2 3914/4885CES1 4650/4885ACHE 4839/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA CES2 211/4885CES1 282/4885ACHE 2321/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CES2 3914/4885CES1 4650/4885ACHE 4839/4885
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use BTD, GAA, GBA3 CES2 123/4885CES1 256/4885ACHE 1179/4885

“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.