SCHEMBL1123075

SCHEMBL1123075

COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CN3CCN(C)CC3)c2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.68
HDAC3 O15379 2/20 0.68
HDAC4 P56524 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
MET P08581 1/20 0.61
NQO2 P16083 1/20 0.61
FECH P22830 1/20 0.61
CLK3 P49761 1/20 0.61
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 4/20 0.47
RAD52 P43351 1/20 0.46

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
SCHEMBL1123076 1.00 PLK1 (0.68) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2210208 0.84 KMT2A (0.52) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2210194 0.84 KMT2A (0.52) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1123045 0.84 PLK1 (0.80) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1123046 0.84 PLK1 (0.80) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1633989 0.84 PLK1 (0.53) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3236546 0.83 KMT2A (0.48) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3236534 0.83 KMT2A (0.48) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12132363 0.83 PLK1 (0.85) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1123005 0.83 PLK1 (0.78) PLK1HDAC3HDAC4HDAC1HDAC7

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 38 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-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
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 PLK1 1494/4885HDAC3 4404/4885HDAC4 4325/4885
US-20100152096-A1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF AMINO-SUBSTITUTED (E)-2, 6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES PKN2, DHPS, GYS2 PLK1 1608/4885HDAC3 4638/4885HDAC4 4549/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 PLK1 1376/4885HDAC3 3434/4885HDAC4 2590/4885

“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.