SCHEMBL1194099

SCHEMBL1194099

O=S(=O)(C(C=Cc1ccc(F)cc1)c1ccc(Cl)cc1)C(C=Cc1ccc(F)cc1)c1ccc(Cl)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
SCHEMBL1194783 1.00 MAOB (0.43) MAOBGPR183PTGES2ALDH1A1AHR
SCHEMBL3668286 1.00 MAOB (0.43) MAOBGPR183PTGES2ALDH1A1AHR
SCHEMBL7736953 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4780885-B2 2011-09-28 JP claimed
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones ONCONOVA THERAPEUTICS, INC. (US) 2011-02-03 US claimed
EP-1223923-B1 UNSATURATED ARYL SULFONES FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2010-03-31 EP claimed
US-20090247624-A1 FORMULATIONS OF RADIOPROTECTIVE ALPHA BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS INC. (US) 2009-10-01 US claimed
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 claimed
EP-2046343-A2 FORMULATIONS OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES Onconova Therapeutics, Inc. (US) 2009-04-15 EP claimed
EP-1370253-B8 USE OF ALPHA, BETA UNSATURATED ARYL SULFONES FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY UNIV TEMPLE (US) 2008-11-26 EP claimed
WO-2008105808-A2 FORMULATIONS OF RADIOPROTECTIVE α, β UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS, INC. (US) 2008-09-04 WO claimed
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 claimed
EP-1909775-A2 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES Onconova Therapeutics, Inc. (US) 2008-04-16 EP claimed
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 claimed
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 claimed
US-6548553-B2 Therapy of proliferative disease other than prostate or breast cancer comprising administering styryl sulfone derivative TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-04-15 US claimed
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 claimed
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 claimed
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 claimed
US-6414034-B1 ANTICANCER AGENTS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-07-02 US claimed
US-6359013-B1 BREAST AND PROSTATE CANCER; AFFECT THE MAPK SIGNAL TRANSDUCTION PATHWAY, THEREBY TUMOR CELL GROWTH; INHIBIT THE GROWTH OF TUMOR CELLS WITHOUT AFFECTING NORMAL CELLS; 4-FLUOROSTYRYL 4-BROMOBENZYL SULFONE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-03-19 US claimed
US-20020022666-A1 Styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-02-21 US claimed
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 claimed

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 1660/4885GPR183 1073/4885PTGES2 427/4885
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-20020022666-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 MAOB 3488/4885GPR183 2303/4885PTGES2 4127/4885
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones DEGS1, ARSA, ABCE1 MAOB 1985/4885GPR183 1775/4885PTGES2 1794/4885

“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.