SCHEMBL827336

SCHEMBL827336

COc1cc(OC)c(C=C[S+]([O-])Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.67
MET P08581 1/20 0.67
NQO2 P16083 1/20 0.67
FECH P22830 1/20 0.67
CLK3 P49761 1/20 0.67
HDAC3 O15379 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL827335 1.00 PLK1 (0.67) PLK1METNQO2FECHCLK3
SCHEMBL3230100 0.90 PLK1 (0.54) PLK1METNQO2FECHCLK3
SCHEMBL3230160 0.90 PLK1 (0.54) PLK1METNQO2FECHCLK3
SCHEMBL3240577 0.88 PLK1 (0.52) PLK1METNQO2FECHCLK3
SCHEMBL3240622 0.88 PLK1 (0.52) PLK1METNQO2FECHCLK3
SCHEMBL3236089 0.87 PLK1 (0.52) PLK1METNQO2FECHCLK3
SCHEMBL3236085 0.87 PLK1 (0.52) PLK1METNQO2FECHCLK3
SCHEMBL3241317 0.85 PLK1 (0.50) PLK1METNQO2FECHCLK3
SCHEMBL3236806 0.85 PLK1 (0.50) PLK1METNQO2FECHCLK3
SCHEMBL3241287 0.85 PLK1 (0.50) PLK1METNQO2FECHCLK3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689706-B1 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIV - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-11 EP claimed
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP claimed
WO-2012020961-A3 PASTE FOR CONTACTS AND SOLAR CELL USING THE SAME LG INNOTEK CO., LTD. (KR) 2012-05-10 WO claimed
EP-1841420-B1 TREATMENT OF DRUG-RESISTANT PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-12-07 EP claimed
US-7744889-B2 Alpha, beta-unsaturated sulfoxides for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-06-29 US claimed
US-20090306207-A1 Treatment of Drug-Resistant Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-12-10 US claimed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US claimed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP claimed
EP-1689706-A4 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2007-11-14 EP claimed
US-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents ONCONOVA THERAPEUTICS INC. 2006-12-14 US claimed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 WO claimed
EP-1689706-A2 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2006-08-16 EP claimed
WO-2005046599-A2 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-05-26 WO claimed
EP-1689706-B1 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIV - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-11 EP disclosed
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP disclosed
WO-2012020961-A3 PASTE FOR CONTACTS AND SOLAR CELL USING THE SAME LG INNOTEK CO., LTD. (KR) 2012-05-10 WO disclosed
US-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents ONCONOVA THERAPEUTICS INC. 2006-12-14 US disclosed
EP-1689706-A2 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2006-08-16 EP disclosed
WO-2006074149-A2 TREATMENT OF DRUG-RESISTANT PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-13 WO disclosed
WO-2005046599-A2 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-05-26 WO 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 (3 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-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents SULT1E1, GSTO1, CCNA1 PLK1 2269/4885MET 2189/4885NQO2 1888/4885
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA PLK1 4666/4885MET 2563/4885NQO2 1199/4885
US-20090306207-A1 Treatment of Drug-Resistant Proliferative Disorders ARSA, KSR1, RPS6KA1 PLK1 1291/4885MET 2961/4885NQO2 1150/4885

“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.