SCHEMBL1195028

SCHEMBL1195028

Cc1ccc(C(C=Cc2ccc(F)cc2)S(=O)(=O)C(C=Cc2ccc(F)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.55
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 1/20 0.41
GPR183 P32249 1/20 0.40
PTGS2 P35354 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
TNFRSF1A P19438 1/20 0.37
MET P08581 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL15673888 0.92 TNFRSF1A (0.42) NFE2L2PTGS2ALOX5PTGS1TNFRSF1A
SCHEMBL7736953 0.84 MAOB (0.43) NFE2L2GPR183PTGS2MAPTTNFRSF1A
SCHEMBL5872258 0.84 TNFRSF1A (0.37) NFE2L2ACHEGPR183PTGS2ALOX5
SCHEMBL3668286 0.84 MAOB (0.43) NFE2L2GPR183PTGS2MAPTTNFRSF1A
SCHEMBL1194100 0.84 MAPT (0.40) NFE2L2MEN1KMT2AGPR183PTGS1
SCHEMBL1194574 0.84 MAPT (0.40) NFE2L2MEN1KMT2AGPR183PTGS1
SCHEMBL1194783 0.84 MAOB (0.43) NFE2L2GPR183PTGS2MAPTTNFRSF1A
SCHEMBL1194770 0.84 ALDH1A1 (0.41) NFE2L2MEN1KMT2AGPR183PTGS2
SCHEMBL7157126 0.84 MAPT (0.40) NFE2L2MEN1KMT2AGPR183PTGS1
SCHEMBL5871976 0.84 TNFRSF1A (0.37) NFE2L2ACHEGPR183PTGS2ALOX5

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 16 patents. 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
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 (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-20090247624-A1 FORMULATIONS OF RADIOPROTECTIVE ALPHA BETA UNSATURATED ARYL SULFONES ARSA, DEGS1, AHR NFE2L2 32/4885MEN1 3782/4885KMT2A 3985/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 NFE2L2 35/4885MEN1 3963/4885KMT2A 3678/4885
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones DEGS1, ARSA, ABCE1 NFE2L2 147/4885MEN1 4017/4885KMT2A 4426/4885

“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.