SCHEMBL3395451

SCHEMBL3395451

Cc1ccc(S(=O)(=O)OC2CCCCC2)cc1S(=O)(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
CNR2 P34972 2/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34

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
SCHEMBL28550016 0.84 ALDH1A1 (0.40) CYP2D6ALDH1A1SMN1; SMN2GAACA1
SCHEMBL22235962 0.84 CYP2D6 (0.44) CYP2D6ALDH1A1SMN1; SMN2GAACA1
SCHEMBL4353840 0.82 HTT (0.43) CYP2D6ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL868426 0.80 ALDH1A1 (0.47) CYP2D6ALDH1A1GAACA1CA2
SCHEMBL23192021 0.79 CYP2D6 (0.61) CYP2D6ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8370244 0.79 CYP2D6 (0.61) CYP2D6ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8367865 0.79 CYP2D6 (0.61) CYP2D6ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL22621292 0.79 CYP2D6 (0.61) CYP2D6ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL24250706 0.79 CYP2D6 (0.61) CYP2D6ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9060935 0.79 CYP2D6 (0.61) CYP2D6ALDH1A1LMNASMN1; SMN2GAA

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 8 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
EP-2203519-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS King Industries (US) 2010-07-07 EP claimed
US-20090104363-A1 Sulfonate esters as latent acid catalysts KING INDUSTRIES 2009-04-23 US claimed
WO-2009045466-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS KING INDUSTRIES (US) 2009-04-09 WO claimed
EP-0142805-A2 Aminoplast curable compositions containing disulfonic acid esters as latent acid catalysts PPG INDUSTRIES, INC. (US) 1985-05-29 EP claimed
US-4501854-A FILMS, COATINGS, PAINTS, MOLDINGS, LAMINATES PPG INDUSTRIES, INC. (US) 1985-02-26 US claimed
EP-0142805-A2 Aminoplast curable compositions containing disulfonic acid esters as latent acid catalysts PPG INDUSTRIES, INC. (US) 1985-05-29 EP disclosed
US-4501854-A FILMS, COATINGS, PAINTS, MOLDINGS, LAMINATES PPG INDUSTRIES, INC. (US) 1985-02-26 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 CYP2D6 4489/4885ALDH1A1 3647/4885LMNA 306/4885

“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.