SCHEMBL831440

SCHEMBL831440

O=c1[nH]c2ccc([N+](=O)[O-])cc2cc1S(=O)(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.57
GRIA2 P42262 2/20 0.57
GRIA3 P42263 2/20 0.57
GRIA4 P48058 2/20 0.57
CYP19A1 P11511 2/20 0.51
PARP1 P09874 2/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAOB P27338 1/20 0.45
NOS1 P29475 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
DAO P14920 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FASN P49327 1/20 0.42

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
SCHEMBL24207597 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL29533215 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL14722450 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL20267527 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL30881362 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL8687546 0.78 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL31154578 0.76 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL1368679 0.76 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL1673078 0.75 CYP19A1 (0.76) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL11140389 0.75 ALDH1A1 (0.56) GRIA1GRIA2GRIA3GRIA4CYP19A1

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 GRIA1 3552/4885GRIA2 3282/4885GRIA3 3686/4885

“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.