SCHEMBL20607693

SCHEMBL20607693

O=Cc1ccc(OCc2ccccc2)c(F)c1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.48
ERN1 O75460 2/20 0.46
NPC1 O15118 3/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
SRC P12931 1/20 0.40
KDM1A O60341 2/20 0.39

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
SCHEMBL14117213 0.84 MAPT (0.50) LIPEERN1NPC1MAPTRAB9A
SCHEMBL20607869 0.83 ERN1 (0.54) LIPEERN1NPC1MAPTRAB9A
SCHEMBL257953 0.82 LIPE (0.53) LIPEERN1NPC1MAPTSMN1; SMN2
SCHEMBL31114193 0.81 MAPT (0.48) LIPEERN1NPC1MAPTRAB9A
SCHEMBL20607689 0.80 MAPT (0.47) LIPEERN1NPC1MAPTRAB9A
SCHEMBL11855056 0.78 MAPT (0.48) LIPEERN1NPC1MAPTRAB9A
SCHEMBL2460349 0.78 CCNB2 (0.58) LIPEERN1NPC1MAPTRAB9A
SCHEMBL16018684 0.78 ERN1 (0.52) ERN1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29957681 0.77 LIPE (0.53) LIPEERN1NPC1MAPTL3MBTL1
SCHEMBL20607426 0.75 ERN1 (0.46) ERN1NPC1MAPTRAB9ASMN1; 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 10 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
EP-3423065-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2019-01-09 EP 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 LIPE 2076/4885ERN1 2674/4885NPC1 267/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD LIPE 2076/4885ERN1 2674/4885NPC1 267/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD LIPE 2076/4885ERN1 2674/4885NPC1 267/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD LIPE 2076/4885ERN1 2674/4885NPC1 267/4885

“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.