SCHEMBL1122862

SCHEMBL1122862

CCC(CC)(C(=O)Nc1cc(C(C=Cc2c(OC)cc(OC)cc2OC)S(=O)(=O)C(C=Cc2c(OC)cc(OC)cc2OC)c2ccc(OC)c(NC(=O)C(CC)(CC)P(=O)(O)O)c2)ccc1OC)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
PLK1 P53350 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MET P08581 1/20 0.37
NQO2 P16083 1/20 0.37
FECH P22830 1/20 0.37
CLK3 P49761 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL1122918 0.84 PLK1 (0.41) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1122937 0.84 HDAC1 (0.41) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1123145 0.83 HDAC4 (0.46) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1122901 0.83 ABCG2 (0.43) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1122945 0.82 PLK1 (0.40) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL2417641 0.82 ABCG2 (0.44) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1123357 0.82 ABCG2 (0.44) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1123049 0.81 HDAC4 (0.48) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1123307 0.81 PLK1 (0.39) HDAC1HDAC6PLK1HDAC4HDAC8
SCHEMBL1122999 0.81 TP53 (0.44) HDAC1HDAC6PLK1HDAC4HDAC8

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 18 patents. 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-1487428-A4 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-04-19 EP 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-8063109-B2 Formulations for parenteral administration of (e)-2, 6-dialkoxystyryl 4-substituted benzylsulfones ONCONOVA THERAPEUTICS, INC. (US) 2011-11-22 US 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
EP-2124569-A2 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES Onconova Therapeutics, Inc. (US) 2009-12-02 EP 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
WO-2008088803-A2 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES ONCONOVA THERAPEUTICS, INC. (US) 2008-07-24 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 HDAC1 4510/4885HDAC6 3887/4885PLK1 1494/4885
US-20100152096-A1 FORMULATIONS FOR PARENTERAL ADMINISTRATION OF AMINO-SUBSTITUTED (E)-2, 6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES PKN2, DHPS, GYS2 HDAC1 4703/4885HDAC6 4392/4885PLK1 1608/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 HDAC1 2148/4885HDAC6 3203/4885PLK1 1376/4885

“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.