SCHEMBL827397

SCHEMBL827397

COc1ccc(CSCC(O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACE P12821 2/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SLC5A2 P31639 1/20 0.46
LTA4H P09960 1/20 0.46
HTR1A P08908 1/20 0.44
IDO1 P14902 2/20 0.44
MAPT P10636 1/20 0.43
ACP3 P15309 1/20 0.43
AOC3 Q16853 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL827707 0.92 AOC3 (0.50) EPHX1GAAACEPPARGPPARA
SCHEMBL826429 0.85 GAA (0.52) TDP1GAAACEPPARGPPARA
SCHEMBL10994651 0.82 CYP17A1 (0.44) KDM4EGAASMN1; SMN2ACEPPARG
SCHEMBL11579350 0.80 LDHA (0.58) EPHX1TDP1KDM4EGAASMN1; SMN2
SCHEMBL7207995 0.80 AOC3 (0.58) TDP1GAASLC5A2HTR1AMAPT
SCHEMBL1127531 0.78 LTA4H (0.67) EPHX1SMN1; SMN2LTA4HIDO1MAPT
SCHEMBL1496515 0.78 SMN1; SMN2 (0.46) EPHX1TDP1KDM4EGAASMN1; SMN2
SCHEMBL14839516 0.76 TDP1 (0.60) TDP1KDM4EGAASMN1; SMN2PPARG
SCHEMBL10993398 0.76 CYP1A2 (0.53) KDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL6405056 0.76 FAAH (0.44) KDM4EGAASMN1; SMN2ATM

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 EPHX1 728/4885TDP1 4739/4885KDM4E 4377/4885

“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.