SCHEMBL1194136

SCHEMBL1194136

O=[N+]([O-])c1ccc(CS(=O)(=O)C=Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
BRAF P15056 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAOA P21397 1/20 0.50
APP P05067 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
FBP1 P09467 2/20 0.44
PTGS2 P35354 3/20 0.43
PTGS1 P23219 1/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL1194600 1.00 MAOB (0.50) MAOBBRAFCYP1A2CYP2C9CYP2C19
SCHEMBL1194603 1.00 MAOB (0.50) MAOBBRAFCYP1A2CYP2C9CYP2C19
SCHEMBL1194132 1.00 MAOB (0.50) MAOBBRAFCYP1A2CYP2C9CYP2C19
SCHEMBL827452 0.87 NFE2L2 (0.44) MAOBCYP1A2ALDH1A1FBP1MAPT
SCHEMBL1194116 0.87 NFE2L2 (0.44) MAOBCYP1A2ALDH1A1FBP1MAPT
SCHEMBL827453 0.87 NFE2L2 (0.44) MAOBCYP1A2ALDH1A1FBP1MAPT
SCHEMBL1195202 0.86 ACHE (0.50) MAOBMAOAAPPFBP1PTGS2
SCHEMBL1194483 0.86 MAPT (0.51) MAOBBRAFMAOAAPPFBP1
SCHEMBL1194759 0.86 APP (0.45) BRAFAPPFBP1PTGS2PTGS1
SCHEMBL1194685 0.86 MAPT (0.51) MAOBBRAFMAOAAPPFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056953-B2 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-06-06 US claimed
US-20040229959-A1 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-11-18 US claimed
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 EP claimed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 EP claimed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 WO claimed
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS, INC (US) 2015-08-27 US disclosed
EP-2769719-A1 Formulations of radioprotective alpha, beta unsaturated aryl sulfones Onconova Therapeutics, Inc. (US) 2014-08-27 EP disclosed
EP-2046343-B1 FORMULATIONS OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS INC (US) 2014-05-14 EP disclosed
EP-1909775-B1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS INC (US) 2012-05-16 EP disclosed
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones ONCONOVA THERAPEUTICS, INC. (US) 2011-02-03 US disclosed
EP-1223923-B1 UNSATURATED ARYL SULFONES FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2010-03-31 EP disclosed
US-20090247624-A1 FORMULATIONS OF RADIOPROTECTIVE ALPHA BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS INC. (US) 2009-10-01 US disclosed
EP-1370253-B1 USE OF ALPHA, BETA UNSATURATED ARYL SULFONES FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY UNIV TEMPLE (US) 2008-09-03 EP disclosed
US-7056953-B2 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-06-06 US disclosed
EP-1173160-B1 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2005-06-22 EP disclosed
US-6787667-B2 POLYSULFONSTYRENE POLYMER TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-09-07 US disclosed
US-6767926-B1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-27 US disclosed
US-6762207-B1 TARGETING RECEPTOR TYROSINE KINASES; SELECTIVE TUMOR CELL APOPTOSIS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-13 US disclosed
US-6667346-B2 Administration of a radioprotective alpha, beta unsaturated aryl sulfone compound to a patient prior to anticancer radiotherapy reduces cytotoxic side effects of radiation on normal cells TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-12-23 US disclosed
US-6656973-B2 Anticancer chemotherapy, and cytoprotective agents administered before, during or after chemotherapy to protect the normal cells of the patient TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-12-02 US 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-20090247624-A1 FORMULATIONS OF RADIOPROTECTIVE ALPHA BETA UNSATURATED ARYL SULFONES ARSA, DEGS1, AHR MAOB 1660/4885BRAF 2418/4885CYP1A2 257/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 MAOB 1564/4885BRAF 2233/4885CYP1A2 194/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A MAOB 3806/4885BRAF 541/4885CYP1A2 3140/4885
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones DEGS1, ARSA, ABCE1 MAOB 1985/4885BRAF 2697/4885CYP1A2 253/4885

“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.