SCHEMBL5555458

SCHEMBL5555458

O=C(COC(=O)C(F)(F)S(=O)(=O)O)CC(=O)OCC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL686181 0.91 SCN9A (0.37) SCN9AMAPTHPGDALDH1A1THRB
SCHEMBL5557931 0.89 ALDH1A1 (0.40) SCN9AALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL686567 0.88 SCN9A (0.39) SCN9AMAPTHPGDALDH1A1THRB
SCHEMBL18467219 0.88 SCN9A (0.39) SCN9AMAPTHPGDALDH1A1THRB
SCHEMBL16106774 0.86 SCN9A (0.39) SCN9AMAPTHPGDALDH1A1THRB
SCHEMBL5521880 0.86 SCN9A (0.36) SCN9AALDH1A1THRBMEN1KMT2A
SCHEMBL12094576 0.81 SCN9A (0.36) SCN9AMAPTHPGDALDH1A1THRB
SCHEMBL15463187 0.81 SCN9A (0.37) SCN9AMAPTHPGDALDH1A1THRB
SCHEMBL686547 0.81 MAPT (0.37) SCN9AMAPTHPGDALDH1A1THRB
SCHEMBL686909 0.81 SCN9A (0.36) SCN9AMAPTHPGDALDH1A1THRB

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-8173353-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20100248135-A1 SULFONIUM COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 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-20100248135-A1 SULFONIUM COMPOUND PFAS, F12, AFF1 SCN9A 820/4885MAPT 2164/4885HPGD 4504/4885

“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.