SCHEMBL831441

SCHEMBL831441

COc1cc([N+](=O)[O-])cc2cc(S(=O)(=O)c3cc4cc([N+](=O)[O-])cc(OC)c4[nH]c3=O)c(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 2/20 0.38
GRIN2D O15399 4/20 0.37
GRIN3B O60391 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
GRIN2B Q13224 4/20 0.37
GRIN2C Q14957 4/20 0.37
GRIN3A Q8TCU5 4/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL829833 0.82 MEN1 (0.42) MAPTALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1368857 0.80 MAPT (0.46) ERN1HTTMAPTALDH1A1GRIN2D
SCHEMBL830555 0.79 TP53 (0.44) ERN1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL27763650 0.78 ERN1 (0.43) ERN1HTTMAPTALDH1A1PTGS2
SCHEMBL12501291 0.74 ALDH1A1 (0.56) ERN1HTTMAPTALDH1A1KMT2A
SCHEMBL829572 0.73 HTT (0.40) ERN1HTTMAPTALDH1A1PTGS2
SCHEMBL830170 0.73 MAPT (0.61) ERN1HTTMAPTALDH1A1MEN1
SCHEMBL831440 0.71 GRIA1 (0.57) MAPTALDH1A1CYP19A1
SCHEMBL30349917 0.70 HTT (0.45) ERN1HTTMAPTALDH1A1GRIN2D
SCHEMBL15329253 0.69 MAPT (0.55) ERN1HTTMAPTALDH1A1MEN1

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 ERN1 2544/4885HTT 2736/4885MAPT 4837/4885

“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.