Fluoride

Fluoride

SCHEMBL4027252

B.COc1c(F)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12.F.F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
GSK3B P49841 2/20 0.57
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 1/20 0.56
PRKD3 O94806 1/20 0.56
ALOX15 P16050 1/20 0.56
OPRM1 P35372 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TOP2A P11388 4/20 0.53
TOP2B Q02880 4/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
CYP2C19 P33261 1/20 0.49

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
SCHEMBL116421 0.98 KCNH2 (0.60) KCNH2GSK3BKDM4EHPGDALDH1A1
Acetic Acid SCHEMBL28945125 0.95 KCNH2 (0.58) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL4027258 0.94 KCNH2 (0.57) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL14940560 0.87 KCNH2 (0.49) KCNH2GSK3BKDM4EHPGDALDH1A1
Fluoride SCHEMBL5143207 0.85 KDM4E (0.63) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL4747712 0.85 KCNH2 (0.61) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL483136 0.84 CYP3A4 (0.60) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL2081131 0.84 CYP3A4 (0.60) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL541514 0.84 KDM4E (0.64) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL9416470 0.84 KCNH2 (0.46) KCNH2GSK3BKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US claimed
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 KCNH2 1112/4885GSK3B 3108/4885KDM4E 2599/4885

“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.