SCHEMBL831282

SCHEMBL831282

O=c1sc2ccc([N+](=O)[O-])cc2cc1S(=O)(=O)c1cc2cc([N+](=O)[O-])ccc2sc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 2/20 0.43
CA5A P35218 1/20 0.43
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL1369275 0.76 POLB (0.52) SMN1; SMN2POLBKMT2ALMNACYP1A2
SCHEMBL5440564 0.75 CA12 (0.54) POLBKMT2ALMNACYP1A2CYP2C9
SCHEMBL831767 0.75 TDP1 (0.40) KMT2ACYP1A2CYP2C9HPGDCYP2C19
SCHEMBL830440 0.74 CA2 (0.33) CA2CA12CA1CA9CA5A
SCHEMBL831505 0.74 HSP90AA1 (0.44) KMT2ALMNACA2CA12CA1
SCHEMBL831449 0.74 CA2 (0.54) HPGDCA2CA12CA1CA9
SCHEMBL12404107 0.74 SMN1; SMN2 (0.50) SMN1; SMN2POLBKMT2ALMNACYP1A2
SCHEMBL8798908 0.74 SMN1; SMN2 (0.47) SMN1; SMN2POLBKMT2ALMNACYP1A2
SCHEMBL23612291 0.72 SMN1; SMN2 (0.55) SMN1; SMN2POLBKMT2ALMNACYP1A2
SCHEMBL13299927 0.72 SMN1; SMN2 (0.55) SMN1; SMN2POLBKMT2ALMNACYP1A2

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 SMN1; SMN2 1066/4885POLB 1858/4885KMT2A 484/4885

“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.