SCHEMBL830589

SCHEMBL830589

COc1ccc(C=CS(=O)(=O)CS(=O)(=O)c2cc3cc(Br)ccc3oc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
GPR55 Q9Y2T6 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
CA2 P00918 5/20 0.50
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
CA1 P00915 4/20 0.50
MAOA P21397 2/20 0.49
LMNA P02545 4/20 0.45
PKM P14618 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.43
MAOB P27338 2/20 0.41
ADAM17 P78536 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL831138 1.00 POLB (0.52) POLBGPR55RXFP1CA2CA12
SCHEMBL830588 1.00 POLB (0.52) POLBGPR55RXFP1CA2CA12
SCHEMBL829995 0.88 MAOB (0.51) RXFP1CA2CA12CA9CA1
SCHEMBL830675 0.88 MAOB (0.51) RXFP1CA2CA12CA9CA1
SCHEMBL829994 0.88 MAOB (0.51) RXFP1CA2CA12CA9CA1
SCHEMBL831265 0.86 RXFP1 (0.56) POLBGPR55RXFP1CA2CA12
SCHEMBL830698 0.86 RXFP1 (0.56) POLBGPR55RXFP1CA2CA12
SCHEMBL830697 0.86 RXFP1 (0.56) POLBGPR55RXFP1CA2CA12
SCHEMBL831324 0.85 CA2 (0.57) POLBGPR55RXFP1CA2CA12
SCHEMBL830984 0.85 CA2 (0.57) POLBGPR55RXFP1CA2CA12

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 8 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
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 POLB 1858/4885GPR55 4612/4885RXFP1 4092/4885

“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.