SCHEMBL826429

SCHEMBL826429

COc1ccc(CSCC(O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR2 P34972 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
AOC3 Q16853 2/20 0.44
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
IDO1 P14902 2/20 0.42
ACE P12821 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
SLC5A2 P31639 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL827707 0.93 AOC3 (0.50) GAACYP2D6CYP1A2CYP2C19AOC3
SCHEMBL826868 0.88 CYP2D6 (0.62) GAACYP2D6CYP1A2CYP2C19AOC3
SCHEMBL827397 0.85 EPHX1 (0.53) GAATDP1AOC3PPARGPPARA
SCHEMBL10994651 0.83 CYP17A1 (0.44) GAACYP2D6CYP1A2CYP2C19AOC3
SCHEMBL7207995 0.81 AOC3 (0.58) GAACYP2D6CYP1A2CYP2C19TDP1
SCHEMBL827798 0.81 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19AOC3IDO1
SCHEMBL827325 0.81 CYP2D6 (0.54) GAACYP2D6CYP1A2CYP2C19AOC3
SCHEMBL827399 0.80 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19CNR2TDP1
SCHEMBL9197592 0.76 CYP2D6 (0.47) GAACYP2D6CYP1A2CYP2C19PPARG
SCHEMBL2296911 0.74 ADRB3 (0.56) GAACNR2TDP1AOC3

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 GAA 4376/4885CYP2D6 1247/4885CYP1A2 289/4885

“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.