SCHEMBL5871969

SCHEMBL5871969

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
APP P05067 1/20 0.39
PKM P14618 1/20 0.38
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
GPR183 P32249 3/20 0.36
HSD11B1 P28845 1/20 0.36
NFE2L2 Q16236 2/20 0.35
PTGS1 P23219 1/20 0.35
FBP1 P09467 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL6550137 1.00 KMT2A (0.46) KMT2AMEN1APPPKMHTR2A
SCHEMBL5872255 1.00 KMT2A (0.46) KMT2AMEN1APPPKMHTR2A
SCHEMBL5871973 1.00 KMT2A (0.46) KMT2AMEN1APPPKMHTR2A
SCHEMBL5872250 1.00 KMT2A (0.46) KMT2AMEN1APPPKMHTR2A
SCHEMBL1194500 0.92 KMT2A (0.51) KMT2AMEN1PKMHTR2AKCNH2
SCHEMBL1194433 0.92 KMT2A (0.51) KMT2AMEN1PKMHTR2AKCNH2
SCHEMBL1194436 0.92 KMT2A (0.51) KMT2AMEN1PKMHTR2AKCNH2
SCHEMBL1194446 0.84 KMT2A (0.63) KMT2AMEN1GPR183NFE2L2PTGS1
SCHEMBL5872228 0.84 APP (0.39) KMT2AMEN1APPLMNAMAPT
SCHEMBL1195026 0.84 KMT2A (0.63) KMT2AMEN1GPR183NFE2L2PTGS1

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 13 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
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 EP claimed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 EP claimed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 WO 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 KMT2A 1623/4885MEN1 412/4885APP 4681/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A KMT2A 2532/4885MEN1 2242/4885APP 4705/4885

“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.