SCHEMBL830855

SCHEMBL830855

COc1ccc(CS(=O)(=O)c2cc3cc(Br)ccc3sc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HDAC1 Q13547 1/20 0.38
CLK1 P49759 2/20 0.38
PLCG1 P19174 1/20 0.38
TXNRD1 Q16881 1/20 0.36
PPARA Q07869 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
GRK2 P25098 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
APLNR P35414 2/20 0.35
HSD17B3 P37058 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL830177 0.86 MEN1 (0.42) CA2L3MBTL1POLBCLK1PLCG1
SCHEMBL830994 0.84 GCKR (0.42) L3MBTL1POLBPLCG1
SCHEMBL830154 0.83 CA2 (0.49) CA2L3MBTL1POLBHDAC1PLCG1
SCHEMBL830889 0.81 PARK7 (0.41) CA2L3MBTL1POLBPLCG1TXNRD1
SCHEMBL830291 0.80 CA2 (0.37) CA2POLBGPR55CLK1
SCHEMBL831283 0.80 CA2 (0.37) CA2POLBGPR55CLK1
SCHEMBL830292 0.80 CA2 (0.37) CA2POLBGPR55CLK1
SCHEMBL830672 0.79 SULT1A1 (0.43) CA2L3MBTL1HDAC1PLCG1
SCHEMBL830871 0.79 MEN1 (0.42) CA2L3MBTL1POLBPLCG1TXNRD1
SCHEMBL830426 0.78 PIM1 (0.46) POLBGPR55HDAC1CLK1

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 CA2 2552/4885L3MBTL1 2204/4885POLB 1858/4885

“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.