SCHEMBL1122901

SCHEMBL1122901

COc1cc(OC)c(C=CC(c2ccc(OC)c(NC(N)=O)c2)S(=O)(=O)C(C=Cc2c(OC)cc(OC)cc2OC)c2ccc(OC)c(NC(N)=O)c2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.43
PLK1 P53350 4/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MET P08581 1/20 0.41
NQO2 P16083 1/20 0.41
FECH P22830 1/20 0.41
CLK3 P49761 1/20 0.41
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
MAOA P21397 2/20 0.40

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
SCHEMBL2425301 0.90 HDAC1 (0.41) ABCG2PLK1HDAC3HDAC4HDAC1
SCHEMBL2417641 0.90 ABCG2 (0.44) ABCG2PLK1HDAC3HDAC4HDAC1
SCHEMBL1123357 0.90 ABCG2 (0.44) ABCG2PLK1HDAC3HDAC4HDAC1
SCHEMBL1123205 0.89 MEN1 (0.51) ABCG2HDAC1HDAC8HDAC6TP53
SCHEMBL1122869 0.89 HDAC4 (0.48) ABCG2PLK1HDAC3HDAC4HDAC1
SCHEMBL1123049 0.87 HDAC4 (0.48) ABCG2PLK1HDAC3HDAC4HDAC1
SCHEMBL1123035 0.87 PLK1 (0.42) ABCG2PLK1HDAC3HDAC4HDAC1
SCHEMBL1122999 0.87 TP53 (0.44) ABCG2PLK1HDAC3HDAC4HDAC1
SCHEMBL1122898 0.87 GAA (0.49) ABCG2HDAC1HDAC8HDAC6TP53
SCHEMBL1123010 0.86 PLK1 (0.48) ABCG2PLK1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487428-B1 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-09-21 EP claimed
EP-1773353-B1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTRYRYL 4-SUBSTITUTED BENZYLSULFONES ONCONOVA THERAPEUTICS INC (US) 2011-02-09 EP claimed
US-20100152096-A1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF AMINO-SUBSTITUTED (E)-2, 6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES ONCONOVA THERAPEUTICS, INC 2010-06-17 US claimed
EP-2124569-A2 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES Onconova Therapeutics, Inc. (US) 2009-12-02 EP claimed
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 claimed
US-20090036462-A1 Formulations for parenteral administration of (e)-2, 6-dialkoxystyryl 4-substituted benzylsulfones ONCONOVA THERAPEUTICS, INC. (US) 2009-02-05 US claimed
WO-2008088803-A2 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES ONCONOVA THERAPEUTICS, INC. (US) 2008-07-24 WO claimed
EP-1773353-A2 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTRYRYL 4-SUBSTITUTED BENZYLSULFONES Onconova Therapeutics, Inc (US) 2007-04-18 EP claimed
EP-1487428-A4 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-04-19 EP claimed
WO-2006010152-A2 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTRYRYL 4-SUBSTITUTED BENZYLSULFONES ONCONOVA THERAPEUTICS, INC. (US) 2006-01-26 WO claimed
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 claimed
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 claimed
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 claimed
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-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 (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-20090036462-A1 Formulations for parenteral administration of (e)-2, 6-dialkoxystyryl 4-substituted benzylsulfones PKN2, GYS2, DHPS ABCG2 2257/4885PLK1 1494/4885HDAC3 4404/4885
US-20100152096-A1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF AMINO-SUBSTITUTED (E)-2, 6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES PKN2, DHPS, GYS2 ABCG2 2715/4885PLK1 1608/4885HDAC3 4638/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 ABCG2 1125/4885PLK1 1376/4885HDAC3 3434/4885

“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.