SCHEMBL829683

SCHEMBL829683

COc1ccc2sc(=O)c(S(=O)(=O)c3cc4cc(OC)ccc4sc3=O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.57
BACE1 P56817 1/20 0.53
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
CLK1 P49759 7/20 0.47
DYRK1A Q13627 4/20 0.47
DYRK1B Q9Y463 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 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
SCHEMBL830049 0.88 CA2 (0.57) CA2BACE1PDE3BPDE3ARXFP1
SCHEMBL831810 0.81 NPC1 (0.40) CA2CLK1DYRK1AKDM4ENPC1
SCHEMBL829343 0.78 PLAU (0.45) CA2BACE1CLK1ALDH1A1MAPT
SCHEMBL831505 0.76 HSP90AA1 (0.44) CA2DYRK1ACA12CA1CA9
SCHEMBL830991 0.76 CA2 (0.40) CA2DYRK1ACA12CA1CA9
SCHEMBL830992 0.76 CA2 (0.40) CA2CLK1CA1KDM4ENPC1
SCHEMBL831449 0.76 CA2 (0.54) CA2CLK1DYRK1ADYRK1BCA12
SCHEMBL829598 0.76 CA2 (0.40) CA2CA12CA1CA9KDM4E
SCHEMBL830440 0.76 CA2 (0.33) CA2CA12CA1CA9
SCHEMBL5616891 0.75 CA2 (0.42) CA2BACE1PDE3BPDE3ACLK1

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-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

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 CA2 2552/4885BACE1 3397/4885PDE3B 4735/4885

“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.