SCHEMBL13628706

SCHEMBL13628706

O=C(O)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP8 P22894 4/20 0.39
MMP13 P45452 4/20 0.39
F2 P00734 4/20 0.35
PRSS1 P07477 4/20 0.35
PRSS2 P07478 4/20 0.35
PRSS3 P35030 4/20 0.35

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
SCHEMBL811645 1.00 THRB (0.50) THRBALDH1A1L3MBTL1CA2CA1
SCHEMBL3497426 1.00 THRB (0.50) THRBALDH1A1L3MBTL1CA2CA1
Acetic Acid SCHEMBL3445714 0.94 THRB (0.45) THRBALDH1A1L3MBTL1CA2CA1
SCHEMBL10212041 0.91 ALDH1A1 (0.50) THRBALDH1A1L3MBTL1CA2CA1
SCHEMBL5014267 0.88 ALDH1A1 (0.48) THRBALDH1A1L3MBTL1CA2CA1
SCHEMBL13112893 0.80 ALDH1A1 (0.55) THRBALDH1A1L3MBTL1
SCHEMBL31612194 0.78 THRB (0.46) THRBALDH1A1L3MBTL1CA2CA1
SCHEMBL31612193 0.78 THRB (0.46) THRBALDH1A1L3MBTL1CA2CA1
SCHEMBL5013310 0.78 ALDH1A1 (0.52) THRBALDH1A1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL6067738 0.75 CA2 (0.48) THRBALDH1A1L3MBTL1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612217-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20080081925-A1 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-04-03 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-20080081925-A1 Sulfonium compound SLCO2A1, AFF2, SLCO2B1 THRB 2587/4885ALDH1A1 1315/4885L3MBTL1 3097/4885

“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.