SCHEMBL4965022

SCHEMBL4965022

CCCCCS(=O)(=O)Oc1cccc(OS(=O)(=O)CCCCC)c1OS(=O)(=O)CCCCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.52
ALPI P09923 3/20 0.52
SOAT1 P35610 10/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CETP P11597 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 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
SCHEMBL2882285 0.98 ALPL (0.54) ALPLALPISOAT1ALDH1A1HTT
SCHEMBL8015484 0.95 ALPL (0.47) ALPLALPISOAT1ALDH1A1HTT
SCHEMBL1088213 0.87 ALPL (0.40) ALPLALPI
SCHEMBL2362375 0.84 HTR1B (0.47) ALPLALPI
SCHEMBL6251532 0.83 HTR1B (0.46) ALPLALPI
SCHEMBL4481326 0.83 HTR1B (0.46) ALPLALPI
SCHEMBL7784375 0.83 HTR1B (0.46) ALPLALPI
SCHEMBL3921943 0.83 HTR1B (0.46) ALPLALPI
SCHEMBL4853557 0.83 HTR1B (0.46) ALPLALPI
SCHEMBL3041264 0.83 HTR1B (0.46) ALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP 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-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B ALPL 4014/4885ALPI 4440/4885SOAT1 1089/4885

“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.