SCHEMBL3842967

SCHEMBL3842967

CCCCCCCCCCCCOS(=O)(=O)OO.[Zn]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA9 Q16790 8/20 0.55
CA12 O43570 3/20 0.55
CA7 P43166 3/20 0.55
CA14 Q9ULX7 3/20 0.55
CA3 P07451 2/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA5A P35218 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
RECQL P46063 2/20 0.53
TSHR P16473 2/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
EPHX2 P34913 1/20 0.53
BLM P54132 1/20 0.53
CES2 O00748 1/20 0.44
LPAR3 Q9UBY5 3/20 0.41

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
SCHEMBL3844382 0.98 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL27539096 0.98 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL12479668 0.98 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL28285245 0.96 CA1 (0.55) CA1CA2CA9CA12CA7
SCHEMBL4799214 0.96 CA1 (0.55) CA1CA2CA9CA12CA7
Acetamide SCHEMBL18246548 0.87 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL11586756 0.87 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL9191350 0.87 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL27951777 0.85 CA1 (0.61) CA1CA2CA9CA12CA7
SCHEMBL2494632 0.84 CA1 (0.67) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603521-B1 AUGMENTATION OF PYRITHIONE ACTIVITY OR A POLYVALENT METAL SALT OF PYRITHIONE ACTIVITY BY ZINC-CONTAINING LAYERED MATERIAL PROCTER & GAMBLE (US) 2020-06-17 EP disclosed
EP-1855645-B1 DIIODOMETHYL-P-TOLYLSULFONE AS A PARTICULATE DISPERSION IN A LIQUID SOLVENT IN COMBINATION WITH AN ANTI-DANDRUFF ACTIVE PROCTER & GAMBLE (US) 2009-11-04 EP disclosed
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
EP-1855645-A2 DIIODOMETHYL-P-TOLYLSULFONE AS A PARTICULATE DISPERSION IN A LIQUID SOLVENT IN COMBINATION WITH AN ANTI-DANDRUFF ACTIVE The Procter and Gamble Company (US) 2007-11-21 EP disclosed
WO-2006083630-A2 DIIODOMETHYL-P-TOLYLSULFONE AS A PARTICULATE DISPERSION IN A LIQUID SOLVENT IN COMBINATION WITH AN ANTI-DANDRUFF ACTIVE THE PROCTER & GAMBLE COMPANY (US) 2006-08-10 WO disclosed
US-20060171911-A1 Diiodomethyl-p-tolylsulfone as a particulate dispersion in a liquid solvent in combination with an anti-dandruff active PROCTER & GAMBLE COMPANY, THE 2006-08-03 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 (2 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 CA1 268/4885CA2 1059/4885CA9 4263/4885
US-20060171911-A1 Diiodomethyl-p-tolylsulfone as a particulate dispersion in a liquid solvent in combination with an anti-dandruff active TST, PIK3C3, ETF1 CA1 4173/4885CA2 3832/4885CA9 4137/4885

“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.