SCHEMBL828283

SCHEMBL828283

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(O)c2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.48
ALOX5 P09917 1/20 0.48
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
ERN1 O75460 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKA O14965 1/20 0.43
PLK1 P53350 4/20 0.43
MET P08581 1/20 0.43
FECH P22830 1/20 0.43
CLK3 P49761 1/20 0.43
TUBB1 Q9H4B7 2/20 0.43

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
SCHEMBL828284 1.00 NQO2 (0.48) NQO2ALOX5NQO1ALDH1A1LMNA
SCHEMBL1122313 0.87 ALDH1A1 (0.52) NQO2ALOX5ALDH1A1LMNAERN1
SCHEMBL1122446 0.85 ALDH1A1 (0.63) NQO2ALDH1A1LMNAABCG2MEN1
SCHEMBL826254 0.85 ALDH1A1 (0.47) NQO2ALDH1A1LMNAABCG2MEN1
SCHEMBL826253 0.85 ALDH1A1 (0.47) NQO2ALDH1A1LMNAABCG2MEN1
SCHEMBL30527938 0.85 ALDH1A1 (0.47) NQO2ALDH1A1LMNAABCG2MEN1
SCHEMBL1634608 0.85 ALDH1A1 (0.47) NQO2ALDH1A1LMNAABCG2PLK1
SCHEMBL1634613 0.85 ALDH1A1 (0.47) NQO2ALDH1A1LMNAABCG2PLK1
SCHEMBL2212994 0.84 ALDH1A1 (0.46) NQO2ALDH1A1LMNAABCG2PLK1
SCHEMBL2213001 0.84 ALDH1A1 (0.46) NQO2ALDH1A1LMNAABCG2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP claimed
EP-3138832-A1 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University - Of The Commonwealth System of Higher Education (US) 2017-03-08 EP disclosed
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-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 US disclosed
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 US disclosed
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP disclosed
EP-1740530-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-01-10 EP disclosed
WO-2005089269-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-09-29 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-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders PCNA, MKI67, TP53 NQO2 200/4885ALOX5 964/4885NQO1 178/4885

“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.