SCHEMBL831346

SCHEMBL831346

O=c1oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2cc1S(=O)(=O)CS(=O)(=O)c1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2oc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
GPR35 Q9HC97 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
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 1/20 0.35
RAB9A P51151 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL830939 0.87 CA12 (0.47) CA12CA1CA2CA9GPR35
SCHEMBL828839 0.80 TXNRD1 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL1367303 0.73 GPR35 (0.59) CA12CA9GPR35MAPTALDH1A1
SCHEMBL1368024 0.73 GPR35 (0.59) CA12CA9GPR35MAPTALDH1A1
SCHEMBL832723 0.73 TDP1 (0.37) CA12CA1CA2CA9GPR35
SCHEMBL1368991 0.73 GPR35 (0.55) CA12CA9GPR35MAPTALDH1A1
SCHEMBL830170 0.70 MAPT (0.61) CA12CA1CA2CA9MAPT
SCHEMBL1366873 0.69 ALDH1A1 (0.49) CA1CA2GPR35MAPTALDH1A1
SCHEMBL9006042 0.67 GPR35 (0.39) GPR35MAPTALDH1A1TDP1TSHR
SCHEMBL30424337 0.63 ALDH1A1 (0.49) CA1CA2GPR35MAPTALDH1A1

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 CA12 2448/4885CA1 3859/4885CA2 2552/4885

“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.