SCHEMBL830882

SCHEMBL830882

O=c1oc2ccc(Br)cc2cc1S(=O)(=O)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.77
CA9 Q16790 6/20 0.77
CA1 P00915 5/20 0.77
CA2 P00918 5/20 0.77
LMNA P02545 3/20 0.74
PKM P14618 3/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GPR35 Q9HC97 1/20 0.55
MAOA P21397 1/20 0.54
ALDH1A1 P00352 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
ALDH2 P05091 1/20 0.50
ALDH1A3 P47895 1/20 0.50
CYP2A6 P11509 1/20 0.49

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
SCHEMBL21032744 0.87 LMNA (0.67) CA12CA9CA1CA2LMNA
SCHEMBL21033120 0.85 LMNA (1.00) CA12CA9CA1CA2LMNA
SCHEMBL21033117 0.85 LMNA (0.81) CA12CA9CA1CA2LMNA
SCHEMBL21033102 0.85 LMNA (0.76) CA12CA9CA1CA2LMNA
SCHEMBL20435643 0.85 PKM (1.00) CA12CA9CA1CA2LMNA
SCHEMBL830942 0.85 CA12 (0.70) CA12CA9CA1CA2LMNA
SCHEMBL25010874 0.83 LMNA (0.69) CA12CA9CA1CA2LMNA
SCHEMBL21033041 0.83 LMNA (0.69) CA12CA9CA1CA2LMNA
SCHEMBL21033631 0.83 LMNA (0.77) CA12CA9CA1CA2LMNA
SCHEMBL20435636 0.83 LMNA (0.77) CA12CA9CA1CA2LMNA

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 CA12 2448/4885CA9 1884/4885CA1 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.