SCHEMBL20788641

SCHEMBL20788641

CC(C)(C)OC(=O)N1CCC2(CC1)OB(O)c1cc(N)ccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
USP30 Q70CQ3 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
PDK2 Q15119 1/20 0.37
ESR2 Q92731 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAP4K4 O95819 1/20 0.36
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL20607756 0.84 HDAC1 (0.44) USP30HDAC1GPR119PDK2USP2
SCHEMBL20607865 0.83 ALDH1A1 (0.50) NR1H2USP30HDAC1GPR119PDK2
SCHEMBL31634499 0.78 USP30 (0.44) USP30HDAC1GPR119PDK2HDAC8
SCHEMBL30743086 0.78 NR1H2 (0.56) NR1H2USP30HDAC1HDAC2GPR119
SCHEMBL20955151 0.77 NR1H2 (0.49) NR1H2USP30HDAC1HDAC2GPR119
SCHEMBL30743147 0.76 NR1H2 (0.50) NR1H2USP30HDAC1HDAC2GPR119
SCHEMBL30695726 0.75 NR1H2 (0.61) NR1H2USP30HDAC1HDAC2GPR119
SCHEMBL31549191 0.74 NR1H2 (0.53) NR1H2USP30HDAC1HDAC2GPR119
SCHEMBL31634494 0.73 USP30 (0.39) USP30HDAC1HDAC2GPR119PDK2
SCHEMBL10257158 0.72 NR1H2 (0.49) NR1H2USP30HDAC1HDAC2GPR119

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 EP disclosed
CN-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 CN disclosed
EP-3423065-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2021-07-21 EP disclosed
CN-109195608-B Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-05-11 CN disclosed
US-10919916-B2 Boron-containing small molecules BILL & MELINDA GATES FOUNDATION (US) 2021-02-16 US disclosed
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BILL & MELINDA GATES FOUNDATION (US) 2020-08-06 US disclosed
US-10611780-B2 Boron-containing small molecules BILL AND MELINDA GATES FOUNDATION (US) 2020-04-07 US disclosed
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES GATES FOUNDATION 2019-03-14 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-20190077814-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD NR1H2 1222/4885USP30 3449/4885HDAC1 1653/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD NR1H2 1222/4885USP30 3449/4885HDAC1 1653/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD NR1H2 1222/4885USP30 3449/4885HDAC1 1653/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD NR1H2 1222/4885USP30 3449/4885HDAC1 1653/4885

“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.