SCHEMBL830863

SCHEMBL830863

Cc1cccc2cc(S(=O)(=O)c3cc4cccc(C)c4oc3=O)c(=O)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.56
ADORA2A P29274 3/20 0.56
ADORA1 P30542 2/20 0.56
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 2/20 0.52
PABPC1 P11940 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
RXFP1 Q9HBX9 2/20 0.49
MAOB P27338 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL20435591 0.90 ATM (0.67) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL831153 0.81 CA12 (0.79) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL830725 0.76 CA12 (0.82) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL28160921 0.76 ADORA3 (0.59) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL27935833 0.73 ADORA3 (0.56) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL831485 0.73 CA12 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL13534184 0.73 ADORA3 (0.56) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL13534175 0.73 ADORA3 (0.56) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL21032751 0.73 CA12 (0.65) ADORA3CA12CA1CA2CA9
SCHEMBL20435592 0.73 MEN1 (0.62) MEN1KMT2AATMPABPC1ERAP1

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 ADORA3 4334/4885ADORA2A 4352/4885ADORA1 4419/4885

“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.