SCHEMBL3671244

SCHEMBL3671244

O=C(Cc1ccc(S(=O)(=O)c2ccc(CC(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KIF18A Q8NI77 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TNF P01375 1/20 0.46
GAA P10253 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL2064667 0.81 CES2 (0.61) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL10102346 0.81 LMNA (0.55) POLBKMT2AMEN1MAOAMAOB
SCHEMBL20521709 0.77 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL3673844 0.77 L3MBTL1 (0.49) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL3672578 0.77 HSD11B1 (0.50) POLBKMT2AMEN1MAOAMAOB
SCHEMBL8980494 0.76 MAPK1 (0.48) POLBKMT2AMEN1MAOAMAOB
SCHEMBL10102349 0.75 KMT2A (0.53) POLBKMT2AMAOAMAOBALDH1A1
SCHEMBL4319309 0.73 CES2 (0.61) POLBKMT2AMEN1ALDH1A1MAPT
Acetophenone SCHEMBL6039956 0.73 KMT2A (0.64) POLBKMT2AMEN1KIF18AALDH1A1
SCHEMBL2500404 0.73 PRMT1 (0.54) KMT2AMEN1MAPTTDP1MAPK1

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 20 patents. 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-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-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
CN-1163480-C Styryl sulfone anticancer agents ̹�ն���ѧ 2004-08-25 CN 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-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
EP-1027330-A4 STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-09-10 EP disclosed
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof COSENZA STEPHEN C (US) 2003-08-07 US disclosed
US-20030114538-A1 Styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-06-19 US 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
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 (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-20030114538-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 POLB 2804/4885KMT2A 401/4885MEN1 1011/4885
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TOP1, TOP2A, PCNA POLB 530/4885KMT2A 3526/4885MEN1 3389/4885
US-20020022666-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 POLB 2804/4885KMT2A 401/4885MEN1 1011/4885
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof CCNE1, CCNE2, TOP2B POLB 164/4885KMT2A 3443/4885MEN1 4259/4885

“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.