SCHEMBL829592

SCHEMBL829592

O=c1oc2ccccc2cc1S(=O)(=O)c1cc2ccccc2sc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA9 Q16790 4/20 0.56
CA2 P00918 4/20 0.56
CA1 P00915 3/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
AKR1B1 P15121 2/20 0.43
TYR P14679 1/20 0.43
DAO P14920 1/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL830181 0.85 CA12 (0.74) CA12CA9CA2CA1KDM4E
SCHEMBL829564 0.85 CA9 (0.51) CA12CA9CA2CA1AKR1B1
SCHEMBL20435590 0.76 KDM4E (0.78) CA12CA9CA2CA1KDM4E
SCHEMBL20435610 0.75 CA12 (0.60) CA12CA9CA2CA1KDM4E
SCHEMBL831132 0.72 CA12 (0.70) CA12CA9CA2CA1KDM4E
SCHEMBL22273887 0.72 CA12 (0.70) CA12CA9CA2CA1KDM4E
SCHEMBL850833 0.72 CA2 (0.61) CA12CA9CA2CA1AKR1B1
SCHEMBL830136 0.72 CA1 (1.00) CA12CA9CA2CA1KDM4E
SCHEMBL1047082 0.72 CA12 (0.70) CA12CA9CA2CA1KDM4E
SCHEMBL829895 0.72 CA12 (0.56) CA12CA9CA2CA1KDM4E

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 1884/4885CA2 2552/4885

“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.