SCHEMBL830555

SCHEMBL830555

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
ERN1 O75460 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
PIM1 P11309 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL831441 0.79 ERN1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1370973 0.77 CNR2 (0.43) TP53GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7271023 0.73 CA12 (0.43) TP53RXFP1GRIN2DGRIN3BGRIN1
SCHEMBL830967 0.72 ALDH1A1 (0.43) TP53GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1318287 0.71 RXFP1 (0.37) TP53RXFP1GRIN2DGRIN3BGRIN1
SCHEMBL830995 0.71 RXFP1 (0.44) TP53RXFP1ERN1PIM1MAOB
SCHEMBL830715 0.71 TP53 (0.79) TP53RXFP1PIM1KMT2AMAOB
SCHEMBL14764844 0.69 NQO2 (0.44) RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL829245 0.69 CA12 (0.49) TP53RXFP1KMT2AALDH1A1
SCHEMBL830574 0.68 AKR1B1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 TP53 114/4885RXFP1 4092/4885GRIN2D 2104/4885

“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.