SCHEMBL498448

SCHEMBL498448

COC(=O)CNc1cc(CS(=O)(=O)C=Cc2c(OC)cc(OC)cc2OC)ccc1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.84
MET P08581 1/20 0.84
NQO2 P16083 1/20 0.84
FECH P22830 1/20 0.84
CLK3 P49761 1/20 0.84
HDAC4 P56524 4/20 0.81
HDAC1 Q13547 4/20 0.81
HDAC6 Q9UBN7 4/20 0.81
HDAC8 Q9BY41 3/20 0.81
HDAC3 O15379 2/20 0.81
HDAC7 Q8WUI4 2/20 0.81
HDAC2 Q92769 2/20 0.81
HDAC10 Q969S8 2/20 0.81
HDAC11 Q96DB2 2/20 0.81
HDAC9 Q9UKV0 2/20 0.81
HDAC5 Q9UQL6 2/20 0.81
ABCG2 Q9UNQ0 1/20 0.40
MAPK1 P28482 2/20 0.38
MAOA P21397 2/20 0.37
CYP1A1 P04798 1/20 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
SCHEMBL498447 1.00 PLK1 (0.84) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL498624 0.92 PLK1 (1.00) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL29397572 0.92 PLK1 (1.00) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL498623 0.92 PLK1 (1.00) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL498728 0.91 PLK1 (0.98) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL498730 0.91 PLK1 (0.98) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL29360545 0.90 PLK1 (1.00) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL498729 0.90 PLK1 (1.00) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL4726480 0.90 PLK1 (1.00) PLK1METNQO2FECHCLK3
SCHEMBL15835693 0.87 PLK1 (0.77) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664272-B2 Composition and methods for the treatment of myelodysplastic syndrome and acute myeloid leukemia Temple University—Of the Commonwealth System of Higher Education (US) 2014-03-04 US disclosed
US-8476320-B2 Formulations for parenteral administration of amino-substituted (E)-2, 6-dialkoxystyryl 4-substituted benzylsulfones ONCONOVA THERAPEUTICS, INC (US) 2013-07-02 US disclosed
US-8324190-B2 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones Temple University—Of the Commonwealth System of Higher Education (US) 2012-12-04 US disclosed
US-8106033-B2 (E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)acetic acid; antiproliferative; anticarcinogenic agent : solid tumors, leukemia; \"cytoproliferative\" diseases: atherosclerosis, fibrosis, Paget's disease; synergistic effect with other active ingredients TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-01-31 US disclosed
US-8063109-B2 Formulations for parenteral administration of (e)-2, 6-dialkoxystyryl 4-substituted benzylsulfones ONCONOVA THERAPEUTICS, INC. (US) 2011-11-22 US disclosed
EP-1487428-B1 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-09-21 EP disclosed
EP-1773353-B1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTRYRYL 4-SUBSTITUTED BENZYLSULFONES ONCONOVA THERAPEUTICS INC (US) 2011-02-09 EP disclosed
US-20100305059-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-12-02 US disclosed
US-20100152096-A1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF AMINO-SUBSTITUTED (E)-2, 6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES ONCONOVA THERAPEUTICS, INC 2010-06-17 US disclosed
US-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-12 US disclosed
US-7598232-B2 Amino-substituted (E)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-10-06 US disclosed
US-20090036462-A1 Formulations for parenteral administration of (e)-2, 6-dialkoxystyryl 4-substituted benzylsulfones ONCONOVA THERAPEUTICS, INC. (US) 2009-02-05 US disclosed
US-20080161252-A1 Composition and Methods For the Treatment of Proliferative Diseases TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-07-03 US disclosed
WO-2008027049-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 WO disclosed
WO-2006104668-A2 COMPOSITION AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-10-05 WO disclosed
EP-1487428-A4 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-04-19 EP disclosed
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-06-16 US disclosed
EP-1487428-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2004-12-22 EP disclosed
WO-2003072062-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 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 (6 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-20080161252-A1 Composition and Methods For the Treatment of Proliferative Diseases CCNH, POLH, CCNO PLK1 196/4885MET 254/4885NQO2 733/4885
US-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones CCNY, CCND2, ETV6 PLK1 1292/4885MET 1115/4885NQO2 90/4885
US-20100305059-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA DNMT3A, TET2, MCL1 PLK1 1774/4885MET 185/4885NQO2 1285/4885
US-20090036462-A1 Formulations for parenteral administration of (e)-2, 6-dialkoxystyryl 4-substituted benzylsulfones PKN2, GYS2, DHPS PLK1 1494/4885MET 2015/4885NQO2 2845/4885
US-20100152096-A1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF AMINO-SUBSTITUTED (E)-2, 6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES PKN2, DHPS, GYS2 PLK1 1608/4885MET 1323/4885NQO2 2788/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 PLK1 1376/4885MET 1078/4885NQO2 151/4885

“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.