SCHEMBL831145

SCHEMBL831145

CCOc1cccc2cc(S(=O)(=O)CS(=O)(=O)c3cc4cccc(OCC)c4sc3=O)c(=O)sc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
RXFP1 Q9HBX9 1/20 0.42
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PTPRC P08575 1/20 0.35
OGT O15294 1/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL830023 0.89 CA2 (0.49) CA2CA12CA1CA9RXFP1
SCHEMBL831287 0.82 MAOA (0.41) CA2CA12CA1CA9RXFP1
SCHEMBL830221 0.82 MAOA (0.41) CA2CA12CA1CA9RXFP1
SCHEMBL830222 0.82 MAOA (0.41) CA2CA12CA1CA9RXFP1
SCHEMBL830439 0.77 SMN1; SMN2 (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL830747 0.76 MAOA (0.45) ADORA3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL1369132 0.76 CHRNA7 (0.43) CA9CHRNA7HTR3AADORA2AADORA1
SCHEMBL1368844 0.75 CHRNA7 (0.45) CHRNA7HTR3AADORA2AADORA1ALDH1A1
SCHEMBL831579 0.74 CA12 (0.79) CA2CA12CA1CA9RXFP1
SCHEMBL5534861 0.71 ALDH1A1 (0.42) CA2CA12CA1CA9CHRNA7

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.