SCHEMBL16100148

SCHEMBL16100148

COc1c(OCc2ccccc2)ccc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.41
DGAT1 O75907 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 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
SCHEMBL29455965 1.00 ERN1 (0.41) ERN1DGAT1TUBB1NPC1RAB9A
SCHEMBL16100599 0.86 MAPT (0.44) ERN1DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL20607683 0.86 ERN1 (0.42) ERN1DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL29456087 0.86 MAPT (0.44) ERN1DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL16101039 0.84 DGAT1 (0.41) ERN1DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL16101138 0.84 MAPK14 (0.40) ERN1DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL462096 0.83 HTR1A (0.37) ERN1DGAT1TUBB1NPC1RAB9A
SCHEMBL7097452 0.79 ERN1 (0.50) ERN1TUBB1NPC1RAB9ASMN1; SMN2
SCHEMBL3543787 0.78 ERN1 (0.47) ERN1TUBB1NPC1RAB9ASMN1; SMN2
SCHEMBL26133310 0.78 DGAT1 (0.48) ERN1DGAT1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3423065-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2019-01-09 EP disclosed
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 EP disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 US disclosed
WO-2014149793-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2014-09-25 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 (5 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 ERN1 2674/4885DGAT1 4625/4885TUBB1 290/4885
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO ERN1 3051/4885DGAT1 2685/4885TUBB1 373/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD ERN1 2674/4885DGAT1 4625/4885TUBB1 290/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD ERN1 2674/4885DGAT1 4625/4885TUBB1 290/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD ERN1 2674/4885DGAT1 4625/4885TUBB1 290/4885

“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.