Fluoride

Fluoride

SCHEMBL6169863

B.Cc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2c(Cl)c1F.F.F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.56
TOP2B Q02880 8/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
OPRM1 P35372 2/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
OPRD1 P41143 1/20 0.56
KCNH2 Q12809 3/20 0.48
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKD3 O94806 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CLK2 P49760 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL6171288 0.98 TOP2A (0.58) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL6171004 0.94 TOP2A (0.55) TOP2ATOP2BALDH1A1POLBOPRM1
Fluoride SCHEMBL5143354 0.88 ALDH1A1 (0.63) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL29962586 0.86 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500386 0.86 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL6217009 0.86 ALDH1A1 (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10330766 0.84 ALDH1A1 (0.63) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL4558483 0.84 ALDH1A1 (0.58) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL4564641 0.84 ADRB2 (0.57) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL5143359 0.83 ALDH1A1 (0.62) TOP2ATOP2BALDH1A1POLBOPRM1

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-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 TOP2A 17/4885TOP2B 74/4885ALDH1A1 2739/4885

“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.