SCHEMBL829945

SCHEMBL829945

O=c1[nH]c2ccccc2cc1S(=O)(=O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.56
BRD4 O60885 1/20 0.56
DDO Q99489 1/20 0.56
KDR P35968 2/20 0.53
CHEK1 O14757 1/20 0.53
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
CA2 P00918 1/20 0.50
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL27508522 0.87 DAO (0.59) DAOBRD4DDOKDRCHEK1
SCHEMBL2633970 0.85 BRD4 (0.53) DAOBRD4DDOKDRCHEK1
SCHEMBL31634876 0.85 CA2 (0.61) DAOBRD4DDOKDRCHEK1
SCHEMBL830151 0.85 GRIN2D (0.57) DAOBRD4DDOKDRCHEK1
SCHEMBL851633 0.85 CA2 (0.61) DAOBRD4DDOKDRCHEK1
SCHEMBL829391 0.85 CA12 (0.56) DAOBRD4DDOKDRCHEK1
SCHEMBL829909 0.85 KDR (0.44) DAOBRD4DDOKDRCHEK1
SCHEMBL830554 0.84 BRD4 (0.51) DAOBRD4DDOKDRCHEK1
SCHEMBL831447 0.77 CA2 (0.54) DAODDOCA2KDM4EALDH1A1
SCHEMBL830971 0.77 CYP19A1 (0.44) KDRCHEK1CA2PDGFRBFGFR1

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 DAO 3359/4885BRD4 296/4885DDO 1479/4885

“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.