SCHEMBL1634246

SCHEMBL1634246

COc1cc(OC)c(/C=C/[S+]([O-])Cc2ccc(OC)c(C(C(=O)O)N3CCN(C)CC3)c2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PLK1 P53350 4/20 0.35
MET P08581 1/20 0.35
NQO2 P16083 1/20 0.35
FECH P22830 1/20 0.35
CLK3 P49761 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CG P48736 1/20 0.35
TSHR P16473 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33

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
SCHEMBL1634251 1.00 PTGS1 (0.37) PTGS1PTGS2PLK1METNQO2
SCHEMBL1633988 0.83 PLK1 (0.55) PTGS1PTGS2PLK1METNQO2
SCHEMBL1634004 0.83 PLK1 (0.55) PTGS1PTGS2PLK1METNQO2
SCHEMBL1635080 0.82 PLK1 (0.40) PTGS2PLK1METNQO2FECH
SCHEMBL1635095 0.82 PLK1 (0.40) PTGS2PLK1METNQO2FECH
SCHEMBL1634667 0.81 PLK1 (0.40) PTGS2PLK1METNQO2FECH
SCHEMBL1634026 0.81 PLK1 (0.40) PTGS1PTGS2PLK1METNQO2
SCHEMBL1634018 0.81 PLK1 (0.40) PTGS1PTGS2PLK1METNQO2
SCHEMBL1634691 0.81 PLK1 (0.40) PTGS2PLK1METNQO2FECH
SCHEMBL1635751 0.79 PLK1 (0.39) PTGS2PLK1METNQO2FECH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 US claimed
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 claimed
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP claimed
JP-2007529530-A 2007-10-25 JP claimed
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 claimed
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 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
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

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 PTGS1 199/4885PTGS2 439/4885PLK1 430/4885

“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.