SCHEMBL1194741

SCHEMBL1194741

N#Cc1ccc(C(C=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)C(C=Cc2ccc([N+](=O)[O-])cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 5/20 0.48
▸ RAD51 Q06609 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ APP P05067 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ PTGS2 P35354 4/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ KCNJ1 P48048 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ PGR P06401 1/20 0.38
▸ P4HB P07237 1/20 0.38
▸ THRB P10828 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
SCHEMBL1195153 0.85 NFE2L2 (0.47) FBP1RAD51MAOAMAOBMAPT
SCHEMBL1194529 0.83 APP (0.45) FBP1MAOAMAOBAPPPTGS2
SCHEMBL1194486 0.83 MAOB (0.53) FBP1MAOAMAOBAPPPTGS2
SCHEMBL1194139 0.83 MAOB (0.53) FBP1MAOAMAOBAPPPTGS2
SCHEMBL5871836 0.83 APP (0.45) FBP1MAOAMAOBAPPPTGS2
SCHEMBL1194762 0.83 APP (0.45) FBP1MAOAMAOBAPPPTGS2
SCHEMBL1194605 0.83 MAOB (0.53) FBP1MAOAMAOBAPPPTGS2
SCHEMBL1194689 0.83 MAOB (0.53) FBP1MAOAMAOBAPPPTGS2
SCHEMBL1195206 0.83 MAOA (0.53) FBP1MAOAMAOBAPPPTGS2
SCHEMBL1194823 0.81 GPR183 (0.41) FBP1MAOAMAOBMAPTP4HB

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 22 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-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-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 (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 FBP1 425/4885RAD51 111/4885MAOA 3655/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 FBP1 391/4885RAD51 113/4885MAOA 3497/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A FBP1 2520/4885RAD51 930/4885MAOA 4684/4885
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones DEGS1, ARSA, ABCE1 FBP1 850/4885RAD51 194/4885MAOA 3516/4885

“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.

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