SCHEMBL830010

SCHEMBL830010

COc1ccc(/C=C/C(=O)CS(=O)(=O)c2cc3ccc(OC)cc3sc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
F3 P13726 2/20 0.41
CA2 P00918 1/20 0.41
BACE1 P56817 3/20 0.41
MAPT P10636 4/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TOP2A P11388 1/20 0.40
LMNA P02545 1/20 0.40
APP P05067 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
TNFRSF1A P19438 1/20 0.40

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
SCHEMBL831737 1.00 GSK3B (0.48) GSK3BRAB9ANPC1F3CA2
SCHEMBL830011 1.00 GSK3B (0.48) GSK3BRAB9ANPC1F3CA2
SCHEMBL830921 0.92 GSK3B (0.44) GSK3BRAB9ANPC1F3MAPT
SCHEMBL830920 0.92 GSK3B (0.44) GSK3BRAB9ANPC1F3MAPT
SCHEMBL831245 0.92 GSK3B (0.44) GSK3BRAB9ANPC1F3MAPT
SCHEMBL829883 0.86 GSK3B (0.44) GSK3BRAB9ANPC1F3CA2
SCHEMBL830376 0.86 PIM1 (0.46) GSK3BRAB9ANPC1F3MAPT
SCHEMBL830375 0.86 PIM1 (0.46) GSK3BRAB9ANPC1F3MAPT
SCHEMBL830512 0.86 GSK3B (0.44) GSK3BRAB9ANPC1F3CA2
SCHEMBL830947 0.86 MAPT (0.44) GSK3BRAB9ANPC1F3MAPT

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 4646/4885RAB9A 1681/4885NPC1 2964/4885

“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.