SCHEMBL1194574

SCHEMBL1194574

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR183 P32249 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TNFRSF1A P19438 1/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL1194100 1.00 MAPT (0.40) MAPTNPSR1L3MBTL1GPR183PTGES2
SCHEMBL7157126 1.00 MAPT (0.40) MAPTNPSR1L3MBTL1GPR183PTGES2
SCHEMBL15673888 0.92 TNFRSF1A (0.42) CYP2D6TNFRSF1AHSD11B1NFE2L2PTGS1
SCHEMBL5076107 0.92 MAPT (0.42) MAPTGPR183PTGES2MEN1CYP3A4
SCHEMBL5076100 0.92 MAPT (0.42) MAPTGPR183PTGES2MEN1CYP3A4
SCHEMBL1194536 0.84 AHR (0.38) MAPTGPR183MEN1CYP3A4CYP2D6
SCHEMBL5872239 0.84 MAPT (0.37) MAPTPTGES2MEN1CYP3A4CYP2D6
SCHEMBL3668286 0.84 MAOB (0.43) MAPTGPR183PTGES2ALDH1A1TNFRSF1A
SCHEMBL1194770 0.84 ALDH1A1 (0.41) MAPTGPR183PTGES2MEN1CYP3A4
SCHEMBL5872258 0.84 TNFRSF1A (0.37) GPR183CYP2D6TNFRSF1AHSD11B1NFE2L2

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 MAPT 4838/4885NPSR1 582/4885L3MBTL1 1052/4885
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TOP1, TOP2A, PCNA MAPT 4439/4885NPSR1 3176/4885L3MBTL1 1420/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 MAPT 3381/4885NPSR1 516/4885L3MBTL1 2450/4885
US-20150265549-A1 STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE TTPA, EBP, ADH1A MAPT 874/4885NPSR1 3469/4885L3MBTL1 3210/4885
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof CCNE1, CCNE2, TOP2B MAPT 3950/4885NPSR1 3707/4885L3MBTL1 899/4885

“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.