SCHEMBL830253

SCHEMBL830253

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

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.77
CA12 O43570 4/20 0.77
CA9 Q16790 4/20 0.77
CA1 P00915 3/20 0.77
ATM Q13315 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ERAP1 Q9NZ08 1/20 0.60
MAOA P21397 3/20 0.57
MAOB P27338 3/20 0.55
PTGS1 P23219 1/20 0.55
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
FLT3 P36888 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL20440774 0.88 ATM (0.80) CA2CA12CA9CA1ATM
SCHEMBL830048 0.86 TDP1 (0.78) CA2CA12CA9CA1ATM
SCHEMBL25010880 0.82 ATM (0.68) CA2CA12CA9CA1ATM
SCHEMBL830825 0.79 RXFP1 (0.51) CA2CA12CA9CA1ATM
SCHEMBL830280 0.79 CA12 (0.77) CA2CA12CA9CA1MAOB
SCHEMBL830027 0.79 CA12 (0.77) CA2CA12CA9CA1ATM
SCHEMBL830157 0.79 CA2 (0.56) CA2CA12CA9CA1MAOA
SCHEMBL830882 0.79 CA12 (0.77) CA2CA12CA9CA1MAOA
SCHEMBL5306505 0.78 CA12 (0.65) CA2CA12CA9CA1MAOA
SCHEMBL20758355 0.77 CA2 (0.59) CA2CA12CA9CA1ATM

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 2448/4885CA9 1884/4885

“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.