SCHEMBL1194140

SCHEMBL1194140

O=S(=O)(C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1)C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR183 P32249 2/20 0.39
PYGL P06737 7/20 0.38
AHR P35869 1/20 0.37
GUSB P08236 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
CHAT P28329 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL1194523 0.91 AHR (0.41) PTGS2ALDH1A1AHRABCG2CYP1A2
SCHEMBL1194810 0.88 MDM2 (0.36) PTGS2AHR
SCHEMBL1194120 0.87 AHR (0.44) PTGS2AHRABCG2CYP1A2
SCHEMBL6911087 0.87 AHR (0.44) PTGS2AHRABCG2CYP1A2
SCHEMBL1195539 0.84 PTGS2 (0.41) PTGS2AHRCYP1A1CYP1A2CYP1B1
SCHEMBL1195349 0.80 PTGS2 (0.41) PTGS2AHR
SCHEMBL1194958 0.80 AHR (0.38) GPR183AHRCYP1A2CYP3A4CYP2D6
SCHEMBL1194057 0.80 MAOB (0.50) PTGS2ALDH1A1AHRGUSBABCG2
SCHEMBL3668286 0.80 MAOB (0.43) PTGS2ALDH1A1GPR183AHRCYP1A2
SCHEMBL5872205 0.80 AHR (0.38) PTGS2AHRABCG2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7595347-B2 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents Temple University—Of the Commonwealth System of Higher Education (US) 2009-09-29 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
EP-1223923-A4 METHOD FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2007-09-05 EP 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
US-20030216535-A1 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-20 US disclosed
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof COSENZA STEPHEN C (US) 2003-08-07 US disclosed
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 EP disclosed
EP-1223923-A1 METHOD FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-07-24 EP disclosed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 EP disclosed
WO-2001026645-A1 METHOD FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-04-19 WO disclosed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 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 (5 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 PTGS2 652/4885ALDH1A1 107/4885GPR183 1073/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 PTGS2 704/4885ALDH1A1 77/4885GPR183 1044/4885
US-20030216535-A1 (E)-styryl sulfone anticancer agents KRAS, CCNE1, MCL1 PTGS2 3068/4885ALDH1A1 1204/4885GPR183 1539/4885
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof CCNE1, CCNE2, TOP2B PTGS2 708/4885ALDH1A1 1448/4885GPR183 4140/4885
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones DEGS1, ARSA, ABCE1 PTGS2 1924/4885ALDH1A1 465/4885GPR183 1775/4885

“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.