SCHEMBL4353683

SCHEMBL4353683

CC(C)C(OS(C)(=O)=O)C(C)(C)COS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL14778151 0.77 ALDH1A1 (0.50) ALDH1A1USP2TSHR
SCHEMBL11094073 0.74 TRPA1 (0.35) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL3395529 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL11155362 0.70 ALDH1A1 (0.48) ALDH1A1USP2TSHR
SCHEMBL21404160 0.69 KDM4E (0.32) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14779604 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11150914 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL26137571 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL14780125 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4812791 0.67 KDM4E (0.33) ALDH1A1KDM4EUSP2LMNAMMP9

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
US-20130216723-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS KING INDUSTRIES (US) 2013-08-22 US claimed
US-20090104363-A1 Sulfonate esters as latent acid catalysts KING INDUSTRIES 2009-04-23 US claimed
US-4812215-A SULFONIUM OR PHOSPHONIUM RESIN AMINOPLAST, LATENT ACID CATALYST PPG INDUSTRIES, INC. (US) 1989-03-14 US claimed
US-4477618-A CROSSLINKING AN ACTIVE HYDROGEN-CONTAINING RESIN BLEND BY BAKING; STORAGE STABILITY PPG INDUSTRIES, INC. (US) 1984-10-16 US claimed
US-4812215-A SULFONIUM OR PHOSPHONIUM RESIN AMINOPLAST, LATENT ACID CATALYST PPG INDUSTRIES, INC. (US) 1989-03-14 US disclosed
US-4477618-A CROSSLINKING AN ACTIVE HYDROGEN-CONTAINING RESIN BLEND BY BAKING; STORAGE STABILITY PPG INDUSTRIES, INC. (US) 1984-10-16 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-20090104363-A1 Sulfonate esters as latent acid catalysts ORAI1, SARAF, NAPA ALDH1A1 3647/4885KDM4E 506/4885USP2 4245/4885

“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.