SCHEMBL2421153

SCHEMBL2421153

O=[N+]([O-])c1cccc(C(C=Cc2ccccc2)S(=O)(=O)C(C=Cc2ccccc2)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.57
▸ ACP3 P15309 1/20 0.50
▸ CYP19A1 P11511 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MAOB P27338 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ FBP1 P09467 1/20 0.46
▸ VCP P55072 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ AGTR1 P30556 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ PTPN12 Q05209 1/20 0.42
▸ PTPN22 Q9Y2R2 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL1195213 0.81 NFE2L2 (0.50) NFE2L2CYP19A1MAPTMAOBKMT2A
SCHEMBL1195102 0.81 NFE2L2 (0.50) NFE2L2CYP19A1MAPTMAOBKMT2A
SCHEMBL1194151 0.81 NFE2L2 (0.50) NFE2L2CYP19A1MAPTMAOBKMT2A
SCHEMBL1195489 0.81 NFE2L2 (0.63) NFE2L2CYP19A1MAPTMAOBFBP1
SCHEMBL7107957 0.79 CYP1A2 (0.52) NFE2L2MAPTMAOBFBP1HTT
SCHEMBL7107955 0.79 CYP1A2 (0.52) NFE2L2MAPTMAOBFBP1HTT
SCHEMBL1195153 0.78 NFE2L2 (0.47) NFE2L2CYP19A1MAPTMAOBKMT2A
SCHEMBL1194705 0.78 NFE2L2 (0.65) NFE2L2CYP19A1MAPTKMT2AMEN1
SCHEMBL2418539 0.77 CYP19A1 (0.50) CYP19A1MAPTMAOBGAAALDH1A1
SCHEMBL28853030 0.77 CYP1A2 (0.45) MAPTMAOBKMT2AMEN1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324190-B2 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones Temple University—Of the Commonwealth System of Higher Education (US) 2012-12-04 — — US disclosed
EP-1487428-B1 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-09-21 — — EP disclosed
US-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-12 — — US disclosed
US-7598232-B2 Amino-substituted (E)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-10-06 — — US disclosed
EP-1487428-A4 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-04-19 — — EP disclosed
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-06-16 — — US disclosed
EP-1487428-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2004-12-22 — — EP disclosed
WO-2003072062-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 — — 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 (2 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-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones CCNY, CCND2, ETV6 NFE2L2 687/4885ACP3 2146/4885CYP19A1 653/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 NFE2L2 637/4885ACP3 3492/4885CYP19A1 1374/4885

“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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