SCHEMBL5523488

SCHEMBL5523488

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

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 2/20 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
SCHEMBL2602869 0.92 ALDH1A1 (0.32) ALDH1A1SCN9A
SCHEMBL5521718 0.90 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2603066 0.88 SCN9A (0.34) ALDH1A1SCN9A
SCHEMBL5521880 0.83 SCN9A (0.36) ALDH1A1SCN9A
SCHEMBL2602893 0.82 ALDH1A1 (0.33) ALDH1A1SCN9A
SCHEMBL2602915 0.82 ALDH1A1 (0.31) ALDH1A1SCN9A
SCHEMBL2602861 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5523483 0.81 TSHR (0.32) ALDH1A1
SCHEMBL4406197 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5555458 0.81 SCN9A (0.36) ALDH1A1SCN9A

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 ALDH1A1 1434/4885SCN9A 820/4885

“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.