SCHEMBL830643

SCHEMBL830643

COc1ccc2[nH]c(=O)c(S(=O)(=O)c3cc4cc(OC)ccc4[nH]c3=O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 5/20 0.58
GAA P10253 4/20 0.58
POLB P06746 2/20 0.58
CA2 P00918 2/20 0.57
AXL P30530 1/20 0.54
HPGD P15428 1/20 0.53
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
MAPT P10636 6/20 0.52
NPC1 O15118 2/20 0.52
APAF1 O14727 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX12 P18054 1/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL830567 0.88 CA2 (0.57) KDM4EALDH1A1GAAPOLBCA2
SCHEMBL830358 0.81 KDM4E (0.50) KDM4EALDH1A1GAAPOLBCA2
SCHEMBL9269640 0.79 AXL (0.64) KDM4EALDH1A1GAAPOLBCA2
SCHEMBL30293236 0.78 KDM4E (0.61) KDM4EALDH1A1GAAPOLBCA2
SCHEMBL831042 0.76 DAO (0.60) KDM4EALDH1A1CA2HPGDMAPT
SCHEMBL830326 0.76 HRH4 (0.38) KDM4EALDH1A1GAACA2HPGD
SCHEMBL830971 0.76 CYP19A1 (0.44) CA2PDGFRBPDGFRACA12CA1
SCHEMBL830009 0.76 DAO (0.60) KDM4EALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL830973 0.76 CA2 (0.54) GAACA2PDGFRBPDGFRAALOX15
SCHEMBL829673 0.76 CYP2A6 (0.49) KDM4EALDH1A1GAACA2HPGD

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 KDM4E 1593/4885ALDH1A1 1141/4885GAA 2447/4885

“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.