SCHEMBL831599

SCHEMBL831599

COc1ccc(/C=C\S(=O)(=O)CS(=O)(=O)c2cc3ccc(I)cc3sc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.37
CA2 P00918 1/20 0.35
NFE2L2 Q16236 5/20 0.34
AHR P35869 2/20 0.34
ESR1 P03372 2/20 0.33
CYP1A1 P04798 2/20 0.33
PTGS2 P35354 2/20 0.33
CYP1B1 Q16678 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33
ABL1 P00519 1/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
ABCB1 P08183 1/20 0.33
ALOX5 P09917 1/20 0.33
BCR P11274 1/20 0.33
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL830084 1.00 APP (0.37) APPCA2NFE2L2AHRESR1
SCHEMBL830083 1.00 APP (0.37) APPCA2NFE2L2AHRESR1
SCHEMBL830840 0.92 CA2 (0.43) APPCA2NFE2L2AHRESR1
SCHEMBL830841 0.92 CA2 (0.43) APPCA2NFE2L2AHRESR1
SCHEMBL831848 0.92 CA2 (0.43) APPCA2NFE2L2AHRESR1
SCHEMBL830051 0.88 NFE2L2 (0.44) CA2NFE2L2AHRALOX5KDM4E
SCHEMBL830052 0.88 NFE2L2 (0.44) CA2NFE2L2AHRALOX5KDM4E
SCHEMBL830216 0.88 NFE2L2 (0.44) CA2NFE2L2AHRALOX5KDM4E
SCHEMBL830292 0.82 CA2 (0.37) APPCA2NFE2L2AHRESR1
SCHEMBL831283 0.82 CA2 (0.37) APPCA2NFE2L2AHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 US claimed
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US claimed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP claimed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 WO claimed
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 APP 4785/4885CA2 2552/4885NFE2L2 1235/4885

“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.