SCHEMBL829912

SCHEMBL829912

O=c1[nH]c2c(Cl)cc(Cl)cc2cc1S(=O)(=O)c1cc2cc(Cl)cc(Cl)c2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.51
GRIN2D O15399 4/20 0.49
GRIN3B O60391 4/20 0.49
GRIN1 Q05586 4/20 0.49
GRIN2A Q12879 4/20 0.49
GRIN2B Q13224 4/20 0.49
GRIN2C Q14957 4/20 0.49
GRIN3A Q8TCU5 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
DAO P14920 1/20 0.36
CES1 P23141 2/20 0.33
DNMT1 P26358 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
SCHEMBL830574 0.83 AKR1B1 (0.37) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1368975 0.72 HSD17B10 (0.49) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL830009 0.72 DAO (0.60) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9564555 0.70 GRIA1 (0.47) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL829211 0.69 DAO (0.60) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4462998 0.68 AKR1B1 (1.00) AKR1B1
SCHEMBL22330354 0.67 HRH4 (0.41) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29153243 0.67 CA12 (0.58) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20571353 0.67 ALDH1A1 (0.42) AKR1B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2639494 0.66 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 AKR1B1 2294/4885GRIN2D 2104/4885GRIN3B 3851/4885

“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.