SCHEMBL5871829

SCHEMBL5871829

O=[N+]([O-])c1ccc(C=CS(=O)(=O)Cc2ccc(I)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
FBP1 P09467 1/20 0.44
PTGS2 P35354 5/20 0.43
PTGS1 P23219 2/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BRAF P15056 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.40
HTT P42858 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL5871826 1.00 APP (0.45) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194480 0.86 MAPT (0.51) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194136 0.86 MAOB (0.50) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194759 0.86 APP (0.45) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194757 0.86 APP (0.45) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194603 0.86 MAOB (0.50) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1195202 0.86 ACHE (0.50) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194685 0.86 MAPT (0.51) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194483 0.86 MAPT (0.51) APPFBP1PTGS2PTGS1MAPT
SCHEMBL1194527 0.86 APP (0.45) APPFBP1PTGS2PTGS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040229959-A1 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-11-18 US disclosed
US-6787667-B2 POLYSULFONSTYRENE POLYMER TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-09-07 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-20030216535-A1 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-20 US disclosed
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 EP disclosed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 EP disclosed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 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-20030216535-A1 (E)-styryl sulfone anticancer agents KRAS, CCNE1, MCL1 APP 4681/4885FBP1 2514/4885PTGS2 3068/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A APP 4705/4885FBP1 2520/4885PTGS2 3292/4885

“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.