SCHEMBL829997

SCHEMBL829997

COc1ccc(C=CC(=O)CS(=O)(=O)c2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.64
ESR1 P03372 1/20 0.48
ASAH1 Q13510 1/20 0.48
GSK3B P49841 1/20 0.47
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
BCHE P06276 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
RECQL P46063 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL830561 1.00 PADI4 (0.64) PADI4ESR1ASAH1GSK3BKDM4E
SCHEMBL829996 1.00 PADI4 (0.64) PADI4ESR1ASAH1GSK3BKDM4E
SCHEMBL830111 0.87 PADI4 (0.48) PADI4GSK3BALDH1A1SMN1; SMN2LMNA
SCHEMBL830558 0.87 PADI4 (0.48) PADI4GSK3BALDH1A1SMN1; SMN2LMNA
SCHEMBL830112 0.87 PADI4 (0.48) PADI4GSK3BALDH1A1SMN1; SMN2LMNA
SCHEMBL830626 0.86 ESR1 (0.46) PADI4ESR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL830625 0.86 ESR1 (0.46) PADI4ESR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL831071 0.86 ESR1 (0.46) PADI4ESR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL831377 0.81 PADI4 (0.54) PADI4ESR1ASAH1KDM4EALDH1A1
SCHEMBL831378 0.81 PADI4 (0.54) PADI4ESR1ASAH1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PADI4 2944/4885ESR1 2170/4885ASAH1 694/4885

“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.