SCHEMBL3672574

SCHEMBL3672574

O=C(Cc1ccc(S(=O)(=O)c2ccc(CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HSD11B1 P28845 1/20 0.55
GSK3B P49841 1/20 0.54
PKM P14618 2/20 0.54
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
CA2 P00918 3/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 1/20 0.49
CES1 P23141 1/20 0.49
GLA P06280 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA1 P00915 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL28872876 0.83 PKM (0.62) POLBGSK3BPKMMAPTGAA
SCHEMBL668743 0.83 NPC1 (0.63) GSK3BPKMMAPTGAAKMT2A
SCHEMBL8985359 0.83 NPC1 (0.59) POLBGSK3BPKMMAPTGAA
SCHEMBL199347 0.82 CRHBP (0.62) POLBHSD11B1GSK3BMAPTKMT2A
SCHEMBL4319309 0.82 CES2 (0.61) POLBHSD11B1GSK3BPKMMAPT
SCHEMBL28021892 0.79 MAPT (0.54) GSK3BPKMMAPTGAACA2
SCHEMBL10477098 0.79 GSK3B (0.51) POLBGSK3BPKMMAPTGAA
SCHEMBL8985237 0.79 KDM4E (0.56) GSK3BPKMMAPTGAACA2
SCHEMBL13236074 0.79 MAPT (0.53) GSK3BPKMMAPTGAAKMT2A
SCHEMBL28872884 0.79 MEN1 (0.53) GSK3BPKMMAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223923-B1 UNSATURATED ARYL SULFONES FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2010-03-31 EP 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-B8 USE OF ALPHA, BETA UNSATURATED ARYL SULFONES FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY UNIV TEMPLE (US) 2008-11-26 EP 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
EP-1223923-A4 METHOD FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2007-09-05 EP disclosed
EP-1370253-A4 METHOD FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY WITH $g(a), $g(b) UNSATURATED ARYL SULFONES UNIV TEMPLE (US) 2005-08-17 EP disclosed
EP-1027330-B1 STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2004-12-08 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-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-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 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
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 disclosed
US-20020022666-A1 Styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-02-21 US 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
WO-2000059494-A1 STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 WO disclosed
EP-1027330-A1 STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2000-08-16 EP disclosed
WO-1999018068-A1 STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-04-15 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 (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-20030060505-A1 Method for protecting cells and tissues from ionizing radiation toxicity with alpha, beta unsaturated aryl sulfones ARSA, SULT2A1, CYP2S1 POLB 1751/4885HSD11B1 273/4885GSK3B 3406/4885
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TOP1, TOP2A, PCNA POLB 530/4885HSD11B1 1219/4885GSK3B 3589/4885
US-20020022666-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 POLB 2804/4885HSD11B1 995/4885GSK3B 746/4885

“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.