SCHEMBL829705

SCHEMBL829705

COc1ccc(C=CC(=O)CS(=O)(=O)c2cc3c(OC)cc(OC)cc3sc2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
BACE1 P56817 3/20 0.43
MAPT P10636 2/20 0.43
APP P05067 1/20 0.43
ABCG2 Q9UNQ0 6/20 0.43
TNFRSF1A P19438 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGS2 P35354 6/20 0.41
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL831498 1.00 GSK3B (0.45) GSK3BBACE1MAPTAPPABCG2
SCHEMBL829704 1.00 GSK3B (0.45) GSK3BBACE1MAPTAPPABCG2
SCHEMBL829664 0.89 GSK3B (0.44) GSK3BBACE1MAPTAPPABCG2
SCHEMBL829427 0.89 GSK3B (0.44) GSK3BBACE1MAPTAPPABCG2
SCHEMBL829426 0.89 GSK3B (0.44) GSK3BBACE1MAPTAPPABCG2
SCHEMBL830011 0.85 GSK3B (0.48) GSK3BBACE1MAPTAPPABCG2
SCHEMBL831737 0.85 GSK3B (0.48) GSK3BBACE1MAPTAPPABCG2
SCHEMBL830010 0.85 GSK3B (0.48) GSK3BBACE1MAPTAPPABCG2
SCHEMBL830504 0.82 PTGS2 (0.36) ABCG2PTGS2PTGS1MAOAMAOB
SCHEMBL830505 0.82 PTGS2 (0.36) ABCG2PTGS2PTGS1MAOAMAOB

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 8 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
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 disclosed
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 disclosed
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 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 GSK3B 4646/4885BACE1 3397/4885MAPT 4837/4885

“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.