SCHEMBL832723

SCHEMBL832723

O=c1sc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2cc1S(=O)(=O)CS(=O)(=O)c1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2sc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
TLR9 Q9NR96 1/20 0.35
GPR35 Q9HC97 4/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 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
SCHEMBL831767 0.87 TDP1 (0.40) TDP1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL5435628 0.80 ALDH1A1 (0.34) TDP1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL830146 0.80 TXNRD1 (0.48) TDP1ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL1369287 0.74 ALDH1A1 (0.39) TDP1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL1367177 0.73 ALDH1A1 (0.41) TDP1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL831346 0.73 CA12 (0.44) TDP1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL829572 0.70 HTT (0.40) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15153601 0.63 ALDH1A1 (0.49) TDP1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL831282 0.63 SMN1; SMN2 (0.46) TDP1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL11565133 0.62 ALDH1A1 (0.42) TDP1TSHRALDH1A1CYP1A2CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 3195/4885TSHR 1706/4885ALDH1A1 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.