SCHEMBL828008

SCHEMBL828008

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DRD2 P14416 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
DRD3 P35462 2/20 0.39
LMNA P02545 1/20 0.39
AOC3 Q16853 2/20 0.37
IDO1 P14902 1/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37

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
SCHEMBL828064 0.92 AOC3 (0.42) GMNNTP53CYP3A4ALOX15TSHR
SCHEMBL826571 0.85 KMT2A (0.38) GMNNTP53CYP3A4ALOX15TSHR
SCHEMBL827915 0.84 CNR2 (0.41) LMNAAOC3IDO1
SCHEMBL828088 0.84 KDM4E (0.47) GRIN2BAOC3IDO1
SCHEMBL827445 0.81 GAA (0.51) NPSR1LMNAAOC3EGFRERBB2
SCHEMBL12858571 0.74 CYP2D6 (0.36) NPSR1IDO1
SCHEMBL827300 0.72 AOC3 (0.49) AOC3IDO1
SCHEMBL196856 0.72 IDO1 (0.46) LMNAAOC3IDO1
SCHEMBL777796 0.72 IDO1 (0.46) LMNAAOC3IDO1
SCHEMBL827798 0.71 CYP2D6 (0.54) GMNNTP53CYP3A4ALOX15TSHR

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 6 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-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 GMNN 3098/4885TP53 4119/4885CYP3A4 1638/4885

“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.