SCHEMBL500762

SCHEMBL500762

COCOCc1cc(F)ccc1B1OCCO1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PDE3A Q14432 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 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
SCHEMBL10213876 0.95 CA1 (0.31) CA1CA2PDE3A
SCHEMBL10213873 0.95 CA1 (0.31) CA1CA2PDE3A
SCHEMBL2058804 0.89 IDO1 (0.31) NR3C1PGRNR3C2AR
SCHEMBL10213875 0.88 NR3C1 (0.32) CA1CA2PDE3ANR3C1PGR
SCHEMBL10213857 0.82 CXCR2 (0.41) NR3C1PGRNR3C2AR
SCHEMBL14470727 0.80
SCHEMBL599785 0.80 CA12 (0.30) CA1CA2
SCHEMBL10213852 0.78 MAOB (0.34)
SCHEMBL14470726 0.76 NR3C1 (0.32) NR3C1PGRNR3C2AR
SCHEMBL10213887 0.75 LMNA (0.31) CA1CA2PDE3A

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 50 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-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-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-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-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-9549938-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 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
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-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885PDE3A 4505/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 CA1 3204/4885CA2 1752/4885PDE3A 441/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885PDE3A 4505/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA CA1 838/4885CA2 535/4885PDE3A 3530/4885

“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.