SCHEMBL1323549

SCHEMBL1323549

COc1cc(/C=C\S(=O)(=O)CS(=O)(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.62
APP P05067 4/20 0.60
CYP2D6 P10635 3/20 0.60
ALOX5 P09917 3/20 0.60
NFE2L2 Q16236 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
MAOB P27338 3/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
TYR P14679 2/20 0.60
CYP1A2 P05177 2/20 0.60
NFKB1 P19838 2/20 0.60
HSD11B1 P28845 2/20 0.60
STAT3 P40763 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
KDM4E B2RXH2 2/20 0.60
CA12 O43570 2/20 0.60

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
SCHEMBL1323553 1.00 TTR (0.62) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL1324322 1.00 TTR (0.62) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL1323551 1.00 TTR (0.62) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL4584257 0.94 APP (0.64) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL4584259 0.94 APP (0.64) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL4584256 0.94 APP (0.64) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL4586540 0.91 TUBB1 (0.53) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL4586537 0.91 TUBB1 (0.53) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL4586547 0.91 TUBB1 (0.53) TTRAPPCYP2D6ALOX5NFE2L2
SCHEMBL1323569 0.88 TUBB1 (0.65) APPALOX5ALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773310-B9 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2012-04-25 EP disclosed
US-8058313-B2 4-((1E)-2-(((E)-2-fluoro-4-cyanostyrylsulfonyl)methylsulfonyl)vinyl)-3-fluoro-benzonitrile; mitogen activated protein kinase inhibitor; cell growth factor receptor antagonist; angiogenesis inhibitor, antiproliferative and anticarcinogenic agent; neurodegenerative diseases Temple University—Of the Commonwealth System of Higher Education (US) 2011-11-15 US disclosed
EP-1773310-B1 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2011-10-19 EP disclosed
US-20080070974-A1 Alpha, Beta-Unsaturated Sulfones, Sulfoxides, Sulfonimides, Sulfinimides, Acylsulfonamides and Acylsulfinamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-20 US 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-20080070974-A1 Alpha, Beta-Unsaturated Sulfones, Sulfoxides, Sulfonimides, Sulfinimides, Acylsulfonamides and Acylsulfinamides and Therapeutic Uses Thereof DEGS1, SULT1E1, PTDSS1 TTR 1363/4885APP 121/4885CYP2D6 2396/4885

“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.