SCHEMBL3673842

SCHEMBL3673842

O=C(CC1(Cl)C=CC=CC1S(=O)(=O)C1C=CC=CC1(Cl)CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
GSK3B P49841 2/20 0.38
TRPA1 O75762 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 3/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CES1 P23141 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 3/20 0.35
PTPN1 P18031 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL29238187 0.66 MMP9 (0.41) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL9246385 0.65 RXFP1 (0.31) ALDH1A1
SCHEMBL2593768 0.65 L3MBTL1 (0.39) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL10867266 0.64 MMP9 (0.39) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL8674474 0.63 FAAH (0.41) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL4621722 0.62 NPC1 (0.40) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL28359782 0.62 LMNA (0.37) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL10448957 0.62 MAPT (0.40) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL8695942 0.60 CA1 (0.32)
SCHEMBL7149069 0.59 MAPK1 (0.54) ALDH1A1MAPK1GSK3BTRPA1HIF1A

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 19 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
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 ALDH1A1 1264/4885MAPK1 714/4885GSK3B 746/4885
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TOP1, TOP2A, PCNA ALDH1A1 876/4885MAPK1 2818/4885GSK3B 3589/4885
US-20020022666-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 ALDH1A1 1264/4885MAPK1 714/4885GSK3B 746/4885
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof CCNE1, CCNE2, TOP2B ALDH1A1 1448/4885MAPK1 3549/4885GSK3B 1735/4885

“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.