SCHEMBL1194529

SCHEMBL1194529

O=[N+]([O-])c1ccc(C=CC(c2ccc(Br)cc2)S(=O)(=O)C(C=Cc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.45
▸ FBP1 P09467 1/20 0.44
▸ PTGS2 P35354 5/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP19A1 P11511 1/20 0.40
▸ MAOB P27338 5/20 0.40
▸ BCHE P06276 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MAOA P21397 3/20 0.38
▸ IGF1R P08069 1/20 0.38

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
SCHEMBL1194762 1.00 APP (0.45) APPFBP1PTGS2PTGS1NPC1
SCHEMBL5076107 0.87 MAPT (0.42) MAPTRAB9AMAOBMEN1KMT2A
SCHEMBL5076100 0.87 MAPT (0.42) MAPTRAB9AMAOBMEN1KMT2A
SCHEMBL1194605 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1195206 0.86 MAOA (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194689 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194139 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL5871836 0.86 APP (0.45) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194486 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1195213 0.84 NFE2L2 (0.50) FBP1NPC1MAPTRAB9ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056953-B2 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-06-06 — — US claimed
EP-1173160-B1 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2005-06-22 — — EP claimed
US-20040229959-A1 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-11-18 — — US claimed
US-6762207-B1 TARGETING RECEPTOR TYROSINE KINASES; SELECTIVE TUMOR CELL APOPTOSIS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-13 — — US claimed
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 — — EP claimed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 — — EP claimed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 — — WO claimed
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-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-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 APP 989/4885FBP1 391/4885PTGS2 704/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A APP 4705/4885FBP1 2520/4885PTGS2 3292/4885
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones DEGS1, ARSA, ABCE1 APP 1097/4885FBP1 850/4885PTGS2 1924/4885

“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.

Send feedback