SCHEMBL830729

SCHEMBL830729

COc1ccc(/C=C/S(=O)(=O)CS(=O)(=O)c2cc3ccc(I)cc3oc2=O)cc1

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
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
MAOB P27338 6/20 0.39
POLB P06746 1/20 0.39
MAOA P21397 4/20 0.38
KMT2A Q03164 2/20 0.38
APP P05067 3/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MIF P14174 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36

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
SCHEMBL829577 1.00 CA2 (0.47) CA2CA12CA1CA9GAA
SCHEMBL829576 1.00 CA2 (0.47) CA2CA12CA1CA9GAA
SCHEMBL830984 0.92 CA2 (0.57) CA2CA12CA1CA9GAA
SCHEMBL830983 0.92 CA2 (0.57) CA2CA12CA1CA9GAA
SCHEMBL831324 0.92 CA2 (0.57) CA2CA12CA1CA9GAA
SCHEMBL830753 0.88 MAOB (0.49) CA2CA12CA1CA9GAA
SCHEMBL829530 0.88 MAOB (0.49) CA2CA12CA1CA9GAA
SCHEMBL829529 0.88 MAOB (0.49) CA2CA12CA1CA9GAA
SCHEMBL830589 0.82 POLB (0.52) CA2CA12CA1CA9KDM4E
SCHEMBL830588 0.82 POLB (0.52) CA2CA12CA1CA9KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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.