SCHEMBL1195131

SCHEMBL1195131

O=[N+]([O-])c1ccccc1C=CC(c1ccc(F)cc1)S(=O)(=O)C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 6/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ SOS1 Q07889 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ AR P10275 1/20 0.41
▸ RAB9A P51151 5/20 0.40
▸ ATM Q13315 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ GAA P10253 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
SCHEMBL1194649 0.87 ALDH1A1 (0.55) MAPTLMNAALDH1A1MAOBSOS1
SCHEMBL1193127 0.87 MEN1 (0.46) MAPTLMNAALDH1A1MAOBSOS1
SCHEMBL1195488 0.87 MAPT (0.46) MAPTLMNAALDH1A1MAOBSOS1
SCHEMBL5872029 0.87 MAOB (0.44) MAPTLMNAALDH1A1MAOBSOS1
SCHEMBL1194910 0.84 CYP19A1 (0.56) MAPTLMNAALDH1A1PKMMAOB
SCHEMBL1194897 0.84 MAOB (0.41) MAPTLMNAALDH1A1MAOBSOS1
SCHEMBL1195567 0.78 GPR35 (0.41) MAPTLMNAALDH1A1MAOBRAB9A
SCHEMBL5074691 0.77 NFE2L2 (0.50) MAPTLMNAALDH1A1PKMMAOB
SCHEMBL1195102 0.77 NFE2L2 (0.50) MAPTLMNAALDH1A1MAOBCYP19A1
SCHEMBL1194689 0.76 MAOB (0.53) MAPTLMNAALDH1A1PKMMAOB

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
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-2046343-B1 FORMULATIONS OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS INC (US) 2014-05-14 — — 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-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
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 (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-20090247624-A1 FORMULATIONS OF RADIOPROTECTIVE ALPHA BETA UNSATURATED ARYL SULFONES ARSA, DEGS1, AHR MAPT 3406/4885LMNA 351/4885ALDH1A1 107/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 MAPT 3381/4885LMNA 433/4885ALDH1A1 77/4885
US-20110028504-A1 Formulation of radioprotective alpha beta unsaturated aryl sulfones DEGS1, ARSA, ABCE1 MAPT 2017/4885LMNA 857/4885ALDH1A1 465/4885

“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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