SCHEMBL1194783

SCHEMBL1194783

O=S(=O)(C(C=Cc1ccc(Cl)cc1)c1ccc(F)cc1)C(C=Cc1ccc(Cl)cc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
GPR183 P32249 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
ALDH1A1 P00352 2/20 0.38
AHR P35869 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
TNFRSF1A P19438 1/20 0.37
MET P08581 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD11B1 P28845 1/20 0.36
NFE2L2 Q16236 2/20 0.36
NOS2 P35228 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
SCHEMBL3668286 1.00 MAOB (0.43) MAOBGPR183PTGES2ALDH1A1AHR
SCHEMBL7736953 1.00 MAOB (0.43) MAOBGPR183PTGES2ALDH1A1AHR
SCHEMBL1194099 1.00 MAOB (0.43) MAOBGPR183PTGES2ALDH1A1AHR
SCHEMBL15673888 0.92 TNFRSF1A (0.42) TNFRSF1APTGS2HSD11B1NFE2L2
SCHEMBL6911087 0.92 AHR (0.44) MAOBAHRPTGS2CYP1A2NFE2L2
SCHEMBL1194120 0.92 AHR (0.44) MAOBAHRPTGS2CYP1A2NFE2L2
SCHEMBL1195539 0.85 PTGS2 (0.41) MAOBAHRPTGS2CYP1A2NFE2L2
SCHEMBL1194057 0.84 MAOB (0.50) MAOBALDH1A1AHRMAPTPTGS2
SCHEMBL1194100 0.84 MAPT (0.40) GPR183PTGES2ALDH1A1NPC1MAPT
SCHEMBL5872258 0.84 TNFRSF1A (0.37) GPR183TNFRSF1APTGS2HSD11B1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9713597-B2 Stable aqueous formulation of (E)-4-carboxystyryl-4-chlorobenzyl sulfone ONCONOVA THERAPEUTICS, INC. (US) 2017-07-25 US disclosed
US-20150265549-A1 STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE ONCONOVA THERAPEUTICS, INC (US) 2015-09-24 US disclosed
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS, INC (US) 2015-08-27 US disclosed
US-9060967-B2 Stable aqueous formulation of (E)-4-carboxystyryl-4-chlorobenzyl sulfone ONCONOVA THERAPEUTICS, INC (US) 2015-06-23 US disclosed
EP-2552199-B1 IMPROVED STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE ONCONOVA THERAPEUTICS INC (US) 2015-06-03 EP disclosed
US-9044427-B2 Compositions and methods for prevention and treatment of wounds ONCONOVA THERAPEUTICS, INC (US) 2015-06-02 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-2552199-A1 IMPROVED STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE Onconova Therapeutics, Inc. (US) 2013-02-06 EP disclosed
EP-2549867-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF WOUNDS Onconova Therapeutics, Inc. (US) 2013-01-30 EP disclosed
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents COSENZA STEPHEN C (US) 2004-10-28 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-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
EP-1370253-A2 METHOD FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY WITH $g(a), $g(b) UNSATURATED ARYL SULFONES Temple University of the Commonwealth System of Higher Education (US) 2003-12-17 EP 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-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof COSENZA STEPHEN C (US) 2003-08-07 US disclosed
US-20030060505-A1 Method for protecting cells and tissues from ionizing radiation toxicity with alpha, beta unsaturated aryl sulfones ONCONOVA THERAPEUTICS, INC. 2003-03-27 US disclosed
WO-2002069892-A2 METHOD FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY WITH α, β UNSATURATED ARYL SULFONES TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-12 WO 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
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

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-20030060505-A1 Method for protecting cells and tissues from ionizing radiation toxicity with alpha, beta unsaturated aryl sulfones ARSA, SULT2A1, CYP2S1 MAOB 2545/4885GPR183 2226/4885PTGES2 626/4885
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TOP1, TOP2A, PCNA MAOB 3501/4885GPR183 4342/4885PTGES2 339/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 MAOB 1564/4885GPR183 1044/4885PTGES2 465/4885
US-20150265549-A1 STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE TTPA, EBP, ADH1A MAOB 966/4885GPR183 1811/4885PTGES2 164/4885
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof CCNE1, CCNE2, TOP2B MAOB 3268/4885GPR183 4140/4885PTGES2 595/4885

“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.