SCHEMBL3236595

SCHEMBL3236595

NC(=O)C(F)(F)S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 1/20 0.47
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CA5A P35218 2/20 0.32
CA9 Q16790 2/20 0.32
TSHR P16473 1/20 0.32
NT5E P21589 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL16369621 0.77 ALDH1A1 (0.57) CA1CA2CA7CA13ALDH1A1
SCHEMBL501588 0.77 ALDH1A1 (0.57) CA1CA2CA7CA13ALDH1A1
SCHEMBL19865186 0.77 ALDH1A1 (0.38) CA1CA2CA7CA13ALDH1A1
SCHEMBL13495722 0.77 CA1 (0.47) CA1CA2CA7CA13ALDH1A1
SCHEMBL12417902 0.74 CA1 (0.45) CA1CA2CA7CA13ALDH1A1
SCHEMBL4418986 0.73 CA1 (0.50) CA1CA2CA7CA13ALDH1A1
SCHEMBL1149367 0.69 TDP1 (0.35) CA1CA2CA7CA13ALDH1A1
SCHEMBL10260605 0.69 CA2 (0.44) CA1CA2CA7CA13ALDH1A1
SCHEMBL12211903 0.69 CA1 (0.39) CA1CA2CA7CA13ALDH1A1
SCHEMBL16914858 0.67

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-7659026-B2 membrane electrodes; electrocatalysts; fuel cells E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-09 US disclosed
US-20060178411-A1 Sulfonimide containing compounds and their use in polymer electrolyte membranes for electrochemical cells E. I. DU PONT DE NEMOURS AND COMPANY 2006-08-10 US disclosed
US-20060177717-A1 Fluorinated sulfonamide compounds and polymer electrolyte membranes prepared therefrom for use in electrochemical cells U.S. DEPARTMENT OF ENERGY 2006-08-10 US disclosed
WO-2005003081-A2 SULFONIMIDE CONTAINING COMPOUNDS AND THEIR USE IN POLYMER ELECTROLYTE MEMBRANES FOR ELECTROCHEMICAL CELLS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-01-13 WO disclosed
WO-2005001979-A2 FLUORINATED SULFONAMIDE COMPOUNDS AND POLYMER ELECTROLYTE MEMBRANES PEPARED THEREFROM FOR USE IN ELECTROCHEMICAL CELLS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-01-06 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 (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-20060178411-A1 Sulfonimide containing compounds and their use in polymer electrolyte membranes for electrochemical cells HCN2, KCNN2, NHERF1 CA1 22/4885CA2 12/4885CA7 227/4885
US-20060177717-A1 Fluorinated sulfonamide compounds and polymer electrolyte membranes prepared therefrom for use in electrochemical cells PEF1, NHERF1, PXMP4 CA1 281/4885CA2 165/4885CA7 507/4885

“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.