Fluoride

Fluoride

SCHEMBL5146004

B.COc1c(F)c(F)c(C)c2c(=O)c(C(=O)O)cn(C3CC3)c12.F.F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.51
TOP2A P11388 3/20 0.51
TOP2B Q02880 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 5/20 0.47
POLB P06746 2/20 0.47
CACNA1F O60840 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PRKD3 O94806 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRM1 P35372 1/20 0.46
CLK2 P49760 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3808002 0.98 GSK3B (0.53) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL5146011 0.94 GSK3B (0.51) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL8111016 0.86 TOP2A (0.58) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL500863 0.85 GSK3B (0.64) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL5868648 0.85 GSK3B (0.60) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL3131876 0.84 GSK3B (0.43) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL9377798 0.84 MEN1 (0.56) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL1345439 0.83 GSK3B (0.55) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL9089592 0.82 TOP2A (0.55) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL9374041 0.82 GSK3B (0.49) GSK3BTOP2ATOP2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304050-B2 Antibacterial agents PFIZER INC. (US) 2007-12-04 US disclosed
EP-1670793-A1 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
US-20050070523-A1 Antibacterial agents HAGEN SUSAN (US) 2005-03-31 US disclosed
WO-2005026161-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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 (1 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-20050070523-A1 Antibacterial agents MRPL21, ABCB11, NQO1 GSK3B 3349/4885TOP2A 28/4885TOP2B 54/4885

“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.