SCHEMBL5872258

SCHEMBL5872258

O=S(=O)(C(C=Cc1ccc(F)cc1)c1ccc(I)cc1)C(C=Cc1ccc(F)cc1)c1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.37
HSD11B1 P28845 1/20 0.36
NFE2L2 Q16236 2/20 0.35
PTGS1 P23219 2/20 0.35
FBP1 P09467 1/20 0.34
HTR2A P28223 4/20 0.34
KCNH2 Q12809 4/20 0.34
CYP2D6 P10635 1/20 0.34
GPR183 P32249 1/20 0.33
HTR2C P28335 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
NQO2 P16083 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL5871976 1.00 TNFRSF1A (0.37) TNFRSF1AHSD11B1NFE2L2PTGS1FBP1
SCHEMBL15673888 0.92 TNFRSF1A (0.42) TNFRSF1AHSD11B1NFE2L2PTGS1FBP1
SCHEMBL5871842 0.84 MAPT (0.37) CYP2D6
SCHEMBL5872205 0.84 AHR (0.38) NFE2L2PTGS1FBP1ALOX5PTGS2
SCHEMBL5871754 0.84 AHR (0.38) NFE2L2PTGS1FBP1ALOX5PTGS2
SCHEMBL5872239 0.84 MAPT (0.37) CYP2D6
SCHEMBL1194574 0.84 MAPT (0.40) TNFRSF1AHSD11B1NFE2L2PTGS1FBP1
SCHEMBL1194783 0.84 MAOB (0.43) TNFRSF1AHSD11B1NFE2L2GPR183PTGS2
SCHEMBL3668286 0.84 MAOB (0.43) TNFRSF1AHSD11B1NFE2L2GPR183PTGS2
SCHEMBL1195028 0.84 NFE2L2 (0.55) TNFRSF1AHSD11B1NFE2L2PTGS1GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762207-B1 TARGETING RECEPTOR TYROSINE KINASES; SELECTIVE TUMOR CELL APOPTOSIS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-13 US claimed
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 TNFRSF1A 3141/4885HSD11B1 236/4885NFE2L2 820/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A TNFRSF1A 3619/4885HSD11B1 1054/4885NFE2L2 640/4885

“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.