SCHEMBL830359

SCHEMBL830359

O=c1[nH]c2ccccc2cc1S(=O)(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.41
GSR P00390 1/20 0.41
VCAM1 P19320 4/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM1A O60341 1/20 0.40
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
FASN P49327 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL831381 0.88 TXNRD1 (0.40) TXNRD1GSRVCAM1ALDH1A1CYP1A2
SCHEMBL830990 0.84 GFER (0.45) TXNRD1ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL829512 0.82 CDK5 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL830328 0.80 CDK5 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL830948 0.79 VCAM1 (0.40) VCAM1ALDH1A1CYP2C19KDM1AFASN
SCHEMBL829567 0.78 TXNRD1 (0.41) TXNRD1GSRVCAM1ALDH1A1MAPK1
SCHEMBL1368190 0.76 MAPT (0.42) VCAM1MAPK1FASNMAPTKMT2A
SCHEMBL861322 0.76 TXNRD1 (0.43) TXNRD1ALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL830538 0.72 CNR1 (0.54) ALDH1A1HIF1AMAPTKMT2ASMN1; SMN2
SCHEMBL830692 0.72 CDK5 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 566/4885GSR 250/4885VCAM1 3903/4885

“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.