SCHEMBL828064

SCHEMBL828064

[O-][S+](Cc1ccc(Cl)cc1)CC(O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.37
SLC6A4 P31645 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP51A1 Q16850 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL826571 0.92 KMT2A (0.38) AOC3ALOX15TSHRGMNNTP53
SCHEMBL828008 0.92 GMNN (0.49) AOC3ALOX15TSHRGMNNTP53
SCHEMBL827915 0.92 CNR2 (0.41) AOC3CNR2SLC6A4CYP2D6CYP1A2
SCHEMBL827445 0.88 GAA (0.51) AOC3NPSR1CNR2GAACYP2D6
SCHEMBL12858571 0.81 CYP2D6 (0.36) NPSR1SLC6A4GAACYP2D6CYP1A2
SCHEMBL827300 0.78 AOC3 (0.49) AOC3GAACYP2D6CYP1A2CYP2C19
SCHEMBL196856 0.78 IDO1 (0.46) AOC3SLC6A4MEN1KMT2A
SCHEMBL828088 0.75 KDM4E (0.47) AOC3GRIN2BCNR2
SCHEMBL827180 0.75 LMNA (0.35) AOC3GRIN1GRIN2BMEN1KMT2A
SCHEMBL5099590 0.74 SLC6A4 (0.54) AOC3ALOX15TSHRGMNNTP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US claimed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP claimed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 WO claimed
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP disclosed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US disclosed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP disclosed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 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-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA AOC3 3196/4885ALOX15 355/4885TSHR 2235/4885

“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.