SCHEMBL1123338

SCHEMBL1123338

COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)C(F)(F)C(C)=O)c2)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.67
HDAC4 P56524 4/20 0.67
HDAC1 Q13547 4/20 0.67
HDAC6 Q9UBN7 4/20 0.67
HDAC3 O15379 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC2 Q92769 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
HDAC5 Q9UQL6 2/20 0.67
MET P08581 1/20 0.65
NQO2 P16083 1/20 0.65
FECH P22830 1/20 0.65
CLK3 P49761 1/20 0.65
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL5555496 1.00 PLK1 (0.67) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL12132485 0.92 PLK1 (0.67) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL12132318 0.92 PLK1 (0.68) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1122917 0.91 PLK1 (0.71) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1122915 0.91 PLK1 (0.71) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1122942 0.89 PLK1 (0.68) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1122940 0.89 PLK1 (0.68) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1122852 0.89 PLK1 (0.67) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1122769 0.88 PLK1 (0.66) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1122768 0.88 PLK1 (0.66) PLK1HDAC4HDAC1HDAC6HDAC3

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
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-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-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
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 (4 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-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones CCNY, CCND2, ETV6 PLK1 1292/4885HDAC4 2323/4885HDAC1 2164/4885
US-20090036462-A1 Formulations for parenteral administration of (e)-2, 6-dialkoxystyryl 4-substituted benzylsulfones PKN2, GYS2, DHPS PLK1 1494/4885HDAC4 4325/4885HDAC1 4510/4885
US-20100152096-A1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF AMINO-SUBSTITUTED (E)-2, 6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES PKN2, DHPS, GYS2 PLK1 1608/4885HDAC4 4549/4885HDAC1 4703/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 PLK1 1376/4885HDAC4 2590/4885HDAC1 2148/4885

“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.