SCHEMBL5081945

SCHEMBL5081945

CCCCCCCCCCCC(O)OS(=O)(=O)O.[Zn]

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
GPR84 Q9NQS5 7/20 0.42
FFAR1 O14842 2/20 0.42
SMPD1 P17405 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FDPS P14324 2/20 0.38

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
SCHEMBL22749156 0.98 TP53 (0.47) TP53GPR84FFAR1SMPD1FFAR4
SCHEMBL211159 0.90 TP53 (0.41) TP53GPR84FFAR1FDPS
SCHEMBL22749155 0.84 GPR84 (0.45) TP53GPR84FFAR1SMPD1FFAR4
SCHEMBL710698 0.81 TP53 (0.34) TP53FDPS
SCHEMBL28024538 0.81 TP53 (0.46) TP53GPR84FFAR1SMPD1FDPS
SCHEMBL24091301 0.80 TP53 (0.48) TP53GPR84FFAR1SMPD1FDPS
SCHEMBL11694790 0.80 TP53 (0.48) TP53GPR84FFAR1SMPD1FDPS
SCHEMBL6686083 0.80 TP53 (0.48) TP53GPR84FFAR1SMPD1FDPS
SCHEMBL1931553 0.80 TP53 (0.48) TP53GPR84FFAR1SMPD1FDPS
SCHEMBL6480248 0.80 TP53 (0.48) TP53GPR84FFAR1SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080206355-A1 Composition comprising a particulate zinc material, a pyrithione or a polyvalent metal salt of a pyrithione and a synthetic cationic polymer THE PROCTER & GAMBLE COMPANY 2008-08-28 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-20080206355-A1 Composition comprising a particulate zinc material, a pyrithione or a polyvalent metal salt of a pyrithione and a synthetic cationic polymer SLC39A3, SLC39A14, SLC30A7 TP53 267/4885GPR84 1790/4885FFAR1 1811/4885

“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.