Fluoride

Fluoride

SCHEMBL4646971

F.F.F.O=[N+]([O-])c1ccc(Cl)cc1Cl

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.96
MAPK1 P28482 2/20 0.96
TDP1 Q9NUW8 1/20 0.52
VCAM1 P19320 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
PDE7A Q13946 4/20 0.50
ALDH1A1 P00352 3/20 0.50
IDO1 P14902 1/20 0.49
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL487215 0.98 TSHR (1.00) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL29398960 0.98 TSHR (1.00) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL28605170 0.90 TSHR (0.85) TSHRMAPK1TDP1VCAM1CA1
Formic Acid SCHEMBL28203199 0.88 TSHR (0.81) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL5804418 0.87 TSHR (0.79) TSHRMAPK1TDP1VCAM1CA1
Acetonitrile SCHEMBL28603177 0.87 TSHR (0.79) TSHRMAPK1TDP1VCAM1CA1
Tetrahydrothiophene SCHEMBL11517766 0.84 MAPK1 (0.73) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL27600281 0.84 TSHR (0.73) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL9488895 0.84 TSHR (0.73) TSHRMAPK1TDP1VCAM1LMNA
Phenol SCHEMBL28068488 0.84 MAPK1 (0.73) TSHRMAPK1TDP1VCAM1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 TSHR 53/4885MAPK1 936/4885TDP1 2775/4885

“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.