SCHEMBL830889

SCHEMBL830889

COc1ccc(CS(=O)(=O)c2cc3c(Br)cc(Br)cc3sc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.41
PLCG1 P19174 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
OPRD1 P41143 1/20 0.36
POLB P06746 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
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TXNRD1 Q16881 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CRBN Q96SW2 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL830244 0.81 ALDH1A1 (0.45) PLCG1L3MBTL1POLBALDH1A1CYP1A2
SCHEMBL829796 0.81 SMN1; SMN2 (0.40) POLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL830855 0.81 CA2 (0.40) PLCG1L3MBTL1POLBMMP1MMP13
SCHEMBL831307 0.77 PARK7 (0.41) PARK7PLCG1L3MBTL1POLBMMP1
SCHEMBL830154 0.77 CA2 (0.49) PLCG1L3MBTL1POLBALDH1A1CYP1A2
SCHEMBL830994 0.76 GCKR (0.42) PLCG1L3MBTL1POLBALDH1A1CYP1A2
SCHEMBL1366877 0.75 SMN1; SMN2 (0.45) PARK7HSD17B3ALDH1A1CYP3A4KMT2A
SCHEMBL830672 0.74 SULT1A1 (0.43) PLCG1L3MBTL1ALDH1A1CYP3A4CA2
SCHEMBL830177 0.74 MEN1 (0.42) PLCG1L3MBTL1POLBALDH1A1CYP1A2
SCHEMBL830871 0.74 MEN1 (0.42) PLCG1L3MBTL1POLBALDH1A1CYP1A2

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 PARK7 4121/4885PLCG1 3619/4885L3MBTL1 2204/4885

“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.