SCHEMBL5436129

SCHEMBL5436129

O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(Cl)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
SNCA P37840 2/20 0.46
NT5E P21589 2/20 0.42
NSD2 O96028 3/20 0.40
PTPN11 Q06124 3/20 0.37
DUSP3 P51452 2/20 0.37
PTPN5 P54829 2/20 0.37
PTPRC P08575 1/20 0.37
ALOX15 P16050 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPRJ Q12913 1/20 0.37
DUSP26 Q9BV47 1/20 0.37
CASP7 P55210 1/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL27999221 0.87 ALDH1A1 (0.56) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL4131552 0.81 TSHR (0.38) ALDH1A1HSD17B10CYP2C9CYP2C19SNCA
SCHEMBL2898632 0.80 SNCA (0.58) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL686760 0.80 SNCA (0.58) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL29987381 0.80 SNCA (0.58) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL300937 0.80 SNCA (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL305423 0.80 SNCA (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL30233294 0.80 SNCA (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL2926553 0.80 NT5E (0.51) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL31615002 0.80 NT5E (0.51) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1646467-A Process for making butenyl esters from butadiene UNIV SOUTHERN MISSISSIPPI (US) 2005-07-27 CN claimed
US-20050065365-A1 Process for making esters from butadiene THE UNIV. OF SOUTHERN MISS. RESEARCH FOUNDATION (US) 2005-03-24 US claimed
EP-1490321-A1 PROCESS FOR MAKING BUTENYL ESTERS FROM BUTADIENE THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2004-12-29 EP claimed
WO-2003082796-A1 PROCESS FOR MAKING BUTENYL ESTERS FROM BUTADIENE THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2003-10-09 WO claimed
US-20070060769-A1 Integrated process to produce derivatives of butadiene addition products THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2007-03-15 US disclosed
CN-1805919-A Integrated process to produce derivatives of butadiene addition products UNIV SOUTHERN MISSISSIPPI RES (US) 2006-07-19 CN disclosed
EP-1641737-A2 INTEGRATED PROCESS TO PRODUCE DERIVATIVES OF BUTADIENE ADDITION PRODUCTS University of Southern Mississippi Research Foundation (US) 2006-04-05 EP disclosed
CN-1646467-A Process for making butenyl esters from butadiene UNIV SOUTHERN MISSISSIPPI (US) 2005-07-27 CN disclosed
US-20050065365-A1 Process for making esters from butadiene THE UNIV. OF SOUTHERN MISS. RESEARCH FOUNDATION (US) 2005-03-24 US disclosed
EP-1490321-A1 PROCESS FOR MAKING BUTENYL ESTERS FROM BUTADIENE THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2004-12-29 EP disclosed
WO-2004113262-A2 INTEGRATED PROCESS TO PRODUCE DERIVATIVES OF BUTADIENE ADDITION PRODUCTS THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2004-12-29 WO disclosed
WO-2003082796-A1 PROCESS FOR MAKING BUTENYL ESTERS FROM BUTADIENE THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2003-10-09 WO disclosed
US-4405808-A FROM ACETIC ACID AND OLEFIN IN PRESENCE OF STEAM AND AROMATIC DISULFONIC ACID CATALYST NIPPON GOHSEI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-09-20 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-20070060769-A1 Integrated process to produce derivatives of butadiene addition products ADH5, ADH1C, ADH1A CASP6 4360/4885ALDH1A1 192/4885HSD17B10 22/4885
US-20050065365-A1 Process for making esters from butadiene SQLE, SCD, FASN CASP6 1040/4885ALDH1A1 447/4885HSD17B10 10/4885

“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.