SCHEMBL20607751

SCHEMBL20607751

COCOc1c(C=O)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ERN1 O75460 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTPN1 P18031 1/20 0.32
TRIM24 O15164 1/20 0.31
TYR P14679 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
BACE1 P56817 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
TUBB1 Q9H4B7 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
SCHEMBL31538163 0.80 CA1 (0.47) ALDH1A1CA1CA2ERN1L3MBTL1
SCHEMBL16669880 0.80 ALDH1A1 (0.40) ALDH1A1CA1CA2ERN1L3MBTL1
SCHEMBL25368149 0.78 ALDH1A1 (0.35) ALDH1A1ERN1L3MBTL1PIM1PIM2
SCHEMBL23748164 0.77 HTR2C (0.39) ALDH1A1CA1CA2ERN1CTSL
SCHEMBL20607906 0.76 ERN1 (0.47) ERN1L3MBTL1SMN1; SMN2MAPTTUBB1
SCHEMBL11926109 0.76 CA1 (0.36) ALDH1A1CA1CA2ERN1L3MBTL1
SCHEMBL6753702 0.75 ALDH1A1 (0.43) ALDH1A1CA1CA2ERN1L3MBTL1
SCHEMBL21647646 0.74 KDM1A (0.43) ERN1L3MBTL1SMN1; SMN2MAPT
SCHEMBL22230878 0.73 CA1 (0.41) ALDH1A1CA1CA2ERN1L3MBTL1
SCHEMBL9327164 0.73 ERN1 (0.44) ALDH1A1CA1CA2ERN1L3MBTL1

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 ALDH1A1 4559/4885CA1 3591/4885CA2 743/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD ALDH1A1 4559/4885CA1 3591/4885CA2 743/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD ALDH1A1 4559/4885CA1 3591/4885CA2 743/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD ALDH1A1 4559/4885CA1 3591/4885CA2 743/4885

“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.