SCHEMBL926778

SCHEMBL926778

CCCn1cc[n+](C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL925262 0.92 EEF2K (0.35) ACHECA1CA2
SCHEMBL6060053 0.90 ACHE (0.38) ACHE
SCHEMBL31030088 0.90 MEN1 (0.41) ACHECA1CA2
SCHEMBL29409279 0.90 MEN1 (0.41) ACHECA1CA2
SCHEMBL29800177 0.90 MEN1 (0.41) ACHECA1CA2
Trifluoromethanesulfonamide SCHEMBL8218065 0.86 ACHE (0.38) ACHECA1CA2
Trifluoromethanesulfonic Acid SCHEMBL1681503 0.86 KCNH2 (0.39) ACHECA1CA2
SCHEMBL30930129 0.83 ACHE (0.36) ACHECA1CA2
SCHEMBL319282 0.80 ACHE (0.45) ACHECA1CA2
Hydrochloric Acid SCHEMBL1884666 0.78 ACHE (0.47) ACHECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252672-B1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INT (FR) 2019-02-20 EP claimed
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 US claimed
US-20110013252-A1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (compagnie Generale D'optiqu e (FR) 2011-01-20 US claimed
US-12012429-B2 Renewable aromatics from lignocellulosic lignin NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2024-06-18 US disclosed
EP-4352163-A1 POLYSILOXANE COMPOSITION Merck Patent GmbH (DE) 2024-04-17 EP disclosed
US-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 US disclosed
WO-2022258425-A1 POLYSILOXANE COMPOSITION MERCK PATENT GMBH (DE) 2022-12-15 WO disclosed
WO-2022078935-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2022-04-21 WO disclosed
EP-3985046-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2022-04-20 EP disclosed
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 US disclosed
US-20110013252-A1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (compagnie Generale D'optiqu e (FR) 2011-01-20 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-12012429-B2 Renewable aromatics from lignocellulosic lignin DCXR, ALG1, AGL ACHE 1772/4885CA1 4245/4885CA2 1976/4885

“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.