SCHEMBL829343

SCHEMBL829343

COc1ccc2sc(=O)c(S(=O)(=O)Nc3ccc(Br)cc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.45
CA2 P00918 1/20 0.45
IDO1 P14902 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
CLK1 P49759 2/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL830755 0.87 PGR (0.46) IDO1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL829834 0.82 HTT (0.50) PLAULMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL830645 0.81 CA2 (0.44) PLAUCA2LMNASMN1; SMN2ALDH1A1
SCHEMBL829597 0.80 KMT2A (0.47) CA2IDO1SMN1; SMN2HPGDMEN1
SCHEMBL829683 0.78 CA2 (0.57) CA2ALDH1A1CLK1MAPTBACE1
SCHEMBL830061 0.77 CA2 (0.60) PLAUCA2LMNAALDH1A1HPGD
SCHEMBL830658 0.77 PGR (0.51) PLAULMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5962533 0.75 SMN1; SMN2 (0.71) LMNASMN1; SMN2ALDH1A1MEN1ALOX12
SCHEMBL830624 0.75 PGR (0.48) CA2LMNAALDH1A1MEN1ALOX12
SCHEMBL831133 0.73 CA2 (0.41) CA2LMNASMN1; SMN2ALDH1A1MEN1

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 PLAU 4645/4885CA2 2552/4885IDO1 3414/4885

“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.