SCHEMBL827804

SCHEMBL827804

COc1ccc(C[S+]([O-])CC(O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LTA4H P09960 1/20 0.45
HTR1A P08908 1/20 0.43
EPHX1 P07099 1/20 0.43
SLC5A2 P31639 1/20 0.42
AOC3 Q16853 2/20 0.42
ACP3 P15309 1/20 0.42
PBRM1 Q86U86 1/20 0.41
ATM Q13315 1/20 0.41
CASR P41180 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL827300 0.92 AOC3 (0.49) TDP1KDM4EGAASMN1; SMN2SLC5A2
SCHEMBL827445 0.86 GAA (0.51) TDP1GAASLC5A2AOC3ALDH1A1
SCHEMBL11579350 0.79 LDHA (0.58) TDP1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL3387953 0.77 IDO1 (0.52) KDM4ESMN1; SMN2LTA4HALDH1A1
SCHEMBL14839516 0.75 TDP1 (0.60) TDP1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL828088 0.74 KDM4E (0.47) KDM4EAOC3ALDH1A1
SCHEMBL827180 0.74 LMNA (0.35) KDM4EAOC3KMT2AMEN1
SCHEMBL827915 0.74 CNR2 (0.41) KDM4EHTR1AAOC3ATM
SCHEMBL19984719 0.73 AOC3 (0.51) TDP1GAAHTR1ASLC5A2AOC3
SCHEMBL8962636 0.73 CA1 (0.59) TDP1KDM4EGAASMN1; SMN2LTA4H

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 TDP1 4739/4885KDM4E 4377/4885GAA 4376/4885

“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.