SCHEMBL861322

SCHEMBL861322

COc1ccc(CS(=O)(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.43
GFER P55789 1/20 0.41
ALDH1A1 P00352 7/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
IDH1 O75874 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL830990 0.87 GFER (0.45) TXNRD1GFERALDH1A1LMNASMN1; SMN2
SCHEMBL831381 0.87 TXNRD1 (0.40) TXNRD1ALDH1A1LMNAHTT
SCHEMBL831771 0.81 TXNRD1 (0.43) TXNRD1GFERALDH1A1LMNASMN1; SMN2
SCHEMBL831121 0.80 PDGFRB (0.45) ALDH1A1L3MBTL1
SCHEMBL1367629 0.79 ALDH1A1 (0.42) GFERALDH1A1LMNASMN1; SMN2GAA
SCHEMBL829565 0.79 DAO (0.50) IDH1
SCHEMBL829941 0.78 GFER (0.39) GFERALDH1A1LMNASMN1; SMN2GAA
SCHEMBL830359 0.76 TXNRD1 (0.41) TXNRD1ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL830098 0.74 DAO (0.43) IDH1
SCHEMBL830580 0.72 CA12 (0.52) TXNRD1ALDH1A1LMNAGAAHTT

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 TXNRD1 566/4885GFER 420/4885ALDH1A1 1141/4885

“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.