Fluoride

Fluoride

SCHEMBL5798595

B.CC1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23.F.F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
KMT2A Q03164 1/20 0.70
TOP2A P11388 6/20 0.68
TOP2B Q02880 6/20 0.68
ALDH1A1 P00352 4/20 0.68
HPGD P15428 3/20 0.68
HSD17B10 Q99714 2/20 0.68
ALB P02768 1/20 0.68
HRH3 Q9Y5N1 1/20 0.68
AADAT Q8N5Z0 2/20 0.67
TUBB4A P04350 1/20 0.67
POLB P06746 1/20 0.67
TUBB P07437 1/20 0.67
TUBA3C P0DPH7 1/20 0.67
TUBA1B P68363 1/20 0.67
TUBA4A P68366 1/20 0.67
TUBB4B P68371 1/20 0.67
TUBB3 Q13509 1/20 0.67
TUBB2A Q13885 1/20 0.67
TUBB8 Q3ZCM7 1/20 0.67

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 SCHEMBL2781733 1.00 KDM4E (0.70) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL2089512 0.98 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL29406062 0.98 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL2877827 0.98 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL2333806 0.98 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL29872315 0.98 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
Water SCHEMBL4394501 0.97 KDM4E (0.71) KDM4EKMT2ATOP2ATOP2BALDH1A1
Water SCHEMBL4384786 0.97 KDM4E (0.71) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL2183859 0.94 KDM4E (0.68) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL5144854 0.94 KDM4E (0.68) KDM4EKMT2ATOP2ATOP2BALDH1A1

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
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
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents LABORATORIOS VITA, S.A. (ES) 2004-07-29 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 (2 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 KDM4E 4013/4885KMT2A 4755/4885TOP2A 28/4885
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents OXA1L, Q6ZSR9, PGC KDM4E 2554/4885KMT2A 3161/4885TOP2A 208/4885

“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.