Fluoride

Fluoride

SCHEMBL6232004

Cc1cccc([S])c1C.F.F.F.F.F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 3/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CD44 P16070 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL946250 1.00 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL1845749 0.97 TRPA1 (0.44) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL186618 0.97
Fluoride SCHEMBL4456415 0.77 TSHR (0.53) CYP2A6CYP1A2TSHRACHEALDH1A1
Fluoride SCHEMBL1335989 0.77 TSHR (0.53) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL5494561 0.75 TRPA1 (0.61) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL40704 0.75
Fluoride SCHEMBL943942 0.74 CYP1A2 (0.33) TRPA1ATMCYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL1847829 0.74 TSHR (0.50) CYP2A6CYP1A2TSHRACHEALDH1A1
Fluoride SCHEMBL943405 0.74 ALDH1A1 (0.50) CYP2A6CYP1A2TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958415-B2 Synthesis of pentafluorosulfuranyl arylenes AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-10-25 US disclosed
EP-1533297-A1 Synthesis of pentafluorosulfuranyl arylenes AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-05-25 EP disclosed
US-20050107632-A1 Synthesis of pentafluorosulfuranyl arylenes AIR PRODUCTS AND CHEMICALS, INC. 2005-05-19 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 (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-20050107632-A1 Synthesis of pentafluorosulfuranyl arylenes TST, DHRS9, HDHD5 TRPA1 581/4885ATM 3496/4885CYP2A6 354/4885

“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.