SCHEMBL5871836

SCHEMBL5871836

O=[N+]([O-])c1ccc(C=CC(c2ccc(I)cc2)S(=O)(=O)C(C=Cc2ccc([N+](=O)[O-])cc2)c2ccc(I)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.45
▸ FBP1 P09467 1/20 0.44
▸ PTGS2 P35354 6/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP19A1 P11511 2/20 0.40
▸ MAOB P27338 5/20 0.40
▸ BCHE P06276 1/20 0.40
▸ MAOA P21397 3/20 0.38
▸ CYP1B1 Q16678 1/20 0.37
▸ HSPD1 P10809 1/20 0.36
▸ HSPE1 P61604 1/20 0.36

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
SCHEMBL1194762 0.86 APP (0.45) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194139 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194605 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194689 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194529 0.86 APP (0.45) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194486 0.86 MAOB (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1195206 0.86 MAOA (0.53) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1194741 0.83 FBP1 (0.48) APPFBP1PTGS2PTGS1NPC1
SCHEMBL1195115 0.83 PTGS2 (0.57) APPFBP1PTGS2PTGS1MAPT
SCHEMBL3237534 0.83 PTGS2 (0.57) 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.

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