SCHEMBL5974751

SCHEMBL5974751

COc1cc(C=CS(=O)(=O)Cc2ccc(C)cc2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.55
TTR P02766 1/20 0.52
BACE1 P56817 3/20 0.52
GSK3B P49841 2/20 0.52
APP P05067 4/20 0.51
CYP2D6 P10635 3/20 0.51
ALOX5 P09917 3/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 2/20 0.51
TYR P14679 2/20 0.51
NFKB1 P19838 2/20 0.51
MAOB P27338 2/20 0.51
HSD11B1 P28845 2/20 0.51
STAT3 P40763 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
NFE2L2 Q16236 2/20 0.51
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL5974745 1.00 CXCL12 (0.55) CXCL12TTRBACE1GSK3BAPP
SCHEMBL5974352 0.90 NFE2L2 (0.62) CXCL12TTRBACE1GSK3BAPP
SCHEMBL5974346 0.90 NFE2L2 (0.62) CXCL12TTRBACE1GSK3BAPP
SCHEMBL28713934 0.85 TUBB1 (0.55) TTRBACE1GSK3BAPPCYP2D6
SCHEMBL28713935 0.85 TUBB1 (0.55) TTRBACE1GSK3BAPPCYP2D6
SCHEMBL1323553 0.83 TTR (0.62) TTRBACE1GSK3BAPPCYP2D6
SCHEMBL1323551 0.83 TTR (0.62) TTRBACE1GSK3BAPPCYP2D6
SCHEMBL1323549 0.83 TTR (0.62) TTRBACE1GSK3BAPPCYP2D6
SCHEMBL1324322 0.83 TTR (0.62) TTRBACE1GSK3BAPPCYP2D6
SCHEMBL3160982 0.81 ABL1 (0.62) CXCL12BACE1GSK3BALOX5MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379228-A4 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF UNIV TEMPLE (US) 2006-01-04 EP disclosed
US-6833480-B2 Useful in inhibiting proliferation of and/or killing cancer cells TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-12-21 US disclosed
US-20040133030-A1 (Z)-styrylbenzylsulfones and pharmaceutical uses thereof TEMPLE UNIVERSITY - OF THE COMMOWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-08 US disclosed
EP-1379228-A1 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2004-01-14 EP disclosed
WO-2002067913-A8 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF UNIV TEMPLE (US) 2002-11-14 WO disclosed
WO-2002067913-A1 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-06 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 (1 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-20040133030-A1 (Z)-styrylbenzylsulfones and pharmaceutical uses thereof STS, ST14, TP53 CXCL12 1357/4885TTR 2618/4885BACE1 969/4885

“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.