Fluoride Ion

Fluoride Ion

SCHEMBL15769690

CN(C)C(On1nnc2ccccc21)=[N+](C)C.[B+3].[F-].[F-].[F-].[F-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.47
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DGAT1 O75907 1/20 0.40
SLC9A1 P19634 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 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
Fluoride Ion SCHEMBL4594160 0.99 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29544944 0.97 SIRT2 (0.49) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL118552 0.97 SIRT2 (0.49) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride SCHEMBL15769692 0.96 SIRT2 (0.46) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5090302 0.96 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL5514450 0.96 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15769691 0.96 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL30056078 0.96 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride SCHEMBL28343187 0.94 SIRT2 (0.47) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride Ion SCHEMBL28343186 0.93 SIRT2 (0.44) SIRT2HDAC3HDAC4HDAC1HDAC7

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2023-08-31 US disclosed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 EP disclosed
EP-3808749-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2023-03-08 EP disclosed
US-11370798-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-06-28 US disclosed
US-11117900-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-09-14 US disclosed
EP-3486245-B1 2-AMINO-N-(PIPERIDIN-1-YL-PYRIDIN-3-YL) PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMID AS INHIBITOR OF ATR KINASE VERTEX PHARMA (US) 2021-04-28 EP disclosed
EP-3808749-A1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
US-20210047333-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2021-02-18 US disclosed
US-20210032255-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2021-02-04 US disclosed
US-10815239-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-27 US disclosed
US-9650381-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-05-16 US disclosed
US-20160347754-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-01 US disclosed
US-9340546-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-17 US disclosed
US-20150353560-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-12-10 US disclosed
US-20150291601-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-10-15 US disclosed
US-20150158872-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-06-11 US disclosed
US-8957078-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-17 US disclosed
US-20140275009-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-09-18 US disclosed
US-20140249157-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-09-04 US disclosed
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-06-12 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 (13 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-10815239-B2 Compounds useful as inhibitors of ATR kinase ATR, CHEK1, ATRIP SIRT2 2830/4885HDAC3 1642/4885HDAC4 1926/4885
US-20140249157-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 SIRT2 2489/4885HDAC3 1157/4885HDAC4 1710/4885
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 SIRT2 2489/4885HDAC3 1157/4885HDAC4 1710/4885
US-20210047333-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 SIRT2 2639/4885HDAC3 1177/4885HDAC4 1695/4885
US-20150158872-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, ATRIP SIRT2 2830/4885HDAC3 1642/4885HDAC4 1926/4885
US-11117900-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 SIRT2 2639/4885HDAC3 1177/4885HDAC4 1695/4885
US-20160347754-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 SIRT2 2639/4885HDAC3 1177/4885HDAC4 1695/4885
US-20150353560-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, ATRIP SIRT2 2906/4885HDAC3 1712/4885HDAC4 2018/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 SIRT2 2639/4885HDAC3 1177/4885HDAC4 1695/4885
US-20150291601-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 SIRT2 2607/4885HDAC3 1401/4885HDAC4 1998/4885
US-20210032255-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, ATRIP SIRT2 2830/4885HDAC3 1642/4885HDAC4 1926/4885
US-11370798-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 SIRT2 2639/4885HDAC3 1177/4885HDAC4 1695/4885
US-20140275009-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 SIRT2 2607/4885HDAC3 1401/4885HDAC4 1998/4885

“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.