Fluoride

Fluoride

SCHEMBL1895740

CCCCCCCCN1C=CN(C)C1.F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.37
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DNM1 Q05193 2/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
TBXAS1 P24557 1/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.32
GALR3 O60755 1/20 0.32

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 SCHEMBL28178011 1.00 GUSB (0.37) GUSBEBPSIGMAR1PTGS1PTGS2
Fluoride SCHEMBL28177114 1.00 GUSB (0.37) GUSBEBPSIGMAR1PTGS1PTGS2
Fluoride SCHEMBL1897155 1.00 GUSB (0.37) GUSBEBPSIGMAR1PTGS1PTGS2
Fluoride SCHEMBL27855827 0.98 GUSB (0.36) GUSBEBPSIGMAR1PTGS1PTGS2
Fluoride SCHEMBL1899649 0.98 GUSB (0.36) GUSBEBPSIGMAR1PTGS1PTGS2
Fluoride SCHEMBL1896865 0.98 GUSB (0.36) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL4061744 0.98 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL92757 0.98 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
Fluoride SCHEMBL1897237 0.98 GUSB (0.34) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL2890409 0.98 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698606-B1 FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME SUMITOMO CHEMICAL CO (JP) 2013-02-20 EP disclosed
US-7939697-B2 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-20090287025-A1 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-11-19 US disclosed
US-7569703-B2 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-04 US disclosed
US-20070135634-A1 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2007-06-14 US disclosed
EP-1698606-A1 FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP 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-20070135634-A1 Fluorinating agent and method for producing fluorine-containing compound using the same AFF1, AFF2, AFF4 GUSB 3448/4885EBP 2933/4885SIGMAR1 419/4885
US-20090287025-A1 Fluorinating agent and method for producing fluorine-containing compound using the same AFF1, AFF2, AFF4 GUSB 3448/4885EBP 2933/4885SIGMAR1 419/4885

“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.