SCHEMBL3666484

SCHEMBL3666484

O=C(C(=Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA4 P22748 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ BRAF P15056 1/20 0.47
▸ AKR1C1 Q04828 2/20 0.46
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43

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
SCHEMBL3666482 1.00 CA2 (0.52) CA2CA1CA4CA9ALDH1A1
SCHEMBL1195124 0.89 PKM (0.56) CA2CA1CA4CA9ALDH1A1
SCHEMBL1195122 0.89 PKM (0.56) CA2CA1CA4CA9ALDH1A1
SCHEMBL3674003 0.86 BRAF (0.55) CA2CA1CA4CA9KMT2A
SCHEMBL3674001 0.86 BRAF (0.55) CA2CA1CA4CA9KMT2A
SCHEMBL28391526 0.84 AKR1C3 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2AKR1C1
SCHEMBL28389546 0.84 AKR1C3 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2AKR1C1
SCHEMBL1162403 0.82 BRAF (0.49) ALDH1A1KMT2AMEN1BRAFAKR1C1
SCHEMBL10988329 0.81 MAOB (0.53) CA2CA1CA4CA9ALDH1A1
SCHEMBL11564392 0.81 AKR1C3 (0.48) CA2CA1CA4ALDH1A1KMT2A

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 16 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-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
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-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-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
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof COSENZA STEPHEN C (US) 2003-08-07 — — 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
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

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 CA2 4640/4885CA1 4020/4885CA4 4491/4885
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TOP1, TOP2A, PCNA CA2 2982/4885CA1 2266/4885CA4 4015/4885
US-20030149109-A1 (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof CCNE1, CCNE2, TOP2B CA2 2483/4885CA1 2799/4885CA4 1896/4885

“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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