SCHEMBL830881

SCHEMBL830881

O=c1sc2cc3ccccc3cc2cc1S(=O)(=O)c1cc2cc3ccccc3cc2sc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAOA P21397 3/20 0.32
LOXL2 Q9Y4K0 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LOX P28300 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL829564 0.85 CA9 (0.51) CA2CA9CA12CA1CA4
SCHEMBL831074 0.74 CA2 (0.36) CA2CA9CA12CA1ALDH1A1
SCHEMBL831505 0.74 HSP90AA1 (0.44) CA2CA9CA12CA1AKR1B1
SCHEMBL831449 0.74 CA2 (0.54) CA2CA9CA12CA1CA4
SCHEMBL830992 0.74 CA2 (0.40) CA2CA1CA4ALDH1A1KDM4E
SCHEMBL830556 0.74 CA2 (0.54) CA2CA9CA12CA1CA4
SCHEMBL830440 0.74 CA2 (0.33) CA2CA9CA12CA1CA4
SCHEMBL830991 0.74 CA2 (0.40) CA2CA9CA12CA1AKR1B1
SCHEMBL830049 0.73 CA2 (0.57) CA2CA9CA12CA1CA4
SCHEMBL829683 0.73 CA2 (0.57) CA2CA9CA12CA1ALDH1A1

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 2552/4885CA9 1884/4885CA12 2448/4885

“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.