SCHEMBL830940

SCHEMBL830940

O=c1sc2ccc(Cl)cc2cc1S(=O)(=O)CS(=O)(=O)c1cc2cc(Cl)ccc2sc1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CMA1 P23946 1/20 0.36
KDM4E B2RXH2 1/20 0.34
F10 P00742 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
AKR1B1 P15121 2/20 0.33
TMEM97 Q5BJF2 3/20 0.33
ALDH1A1 P00352 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HSD11B1 P28845 1/20 0.32
S100A4 P26447 1/20 0.32

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
SCHEMBL829598 0.85 CA2 (0.40) CA2CA12CA1CA9CMA1
SCHEMBL830742 0.81 HSP90AA1 (0.41) CA2CA12CA1CA9NPSR1
SCHEMBL830177 0.78 MEN1 (0.42) CA2CA1SMN1; SMN2ALDH1A1
SCHEMBL830450 0.78 CYP3A4 (0.40) CA2CA12CA1CA9F10
SCHEMBL830271 0.78 NFE2L2 (0.44) CA2KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL830602 0.78 NFE2L2 (0.44) CA2KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL830272 0.78 NFE2L2 (0.44) CA2KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL830702 0.75 TXNRD1 (0.40) KDM4EAKR1B1ALDH1A1
SCHEMBL830852 0.75 AHR (0.39) CA2CA12CA1CA9
SCHEMBL831701 0.75 AHR (0.39) CA2CA12CA1CA9

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 7 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
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 CA2 2552/4885CA12 2448/4885CA1 3859/4885

“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.