SCHEMBL1634069

SCHEMBL1634069

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
PLK1 P53350 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MMP1 P03956 1/20 0.36
CCR3 P51677 1/20 0.36
MET P08581 1/20 0.36
NQO2 P16083 1/20 0.36
FECH P22830 1/20 0.36
CLK3 P49761 1/20 0.36

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
SCHEMBL1634065 1.00 PTGS1 (0.39) PTGS1CYP1A1CYP1B1ABCG2PLK1
SCHEMBL1634322 0.88 ABCG2 (0.39) PTGS1CYP1A1CYP1B1ABCG2PLK1
SCHEMBL1634325 0.88 ABCG2 (0.39) PTGS1CYP1A1CYP1B1ABCG2PLK1
SCHEMBL1635651 0.86 PTGS1 (0.38) PTGS1CYP1A1CYP1B1ABCG2PLK1
SCHEMBL1634448 0.85 PLK1 (0.42) CYP1A1CYP1B1ABCG2PLK1LMNA
SCHEMBL1634452 0.85 PLK1 (0.42) CYP1A1CYP1B1ABCG2PLK1LMNA
SCHEMBL1635083 0.84 ABCG2 (0.41) PTGS1CYP1A1CYP1B1ABCG2PLK1
SCHEMBL1635408 0.84 ABCG2 (0.42) PTGS1CYP1A1CYP1B1ABCG2PLK1
SCHEMBL1635404 0.84 ABCG2 (0.42) PTGS1CYP1A1CYP1B1ABCG2PLK1
SCHEMBL1635465 0.83 ABCG2 (0.37) CYP1A1CYP1B1ABCG2PLK1LMNA

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 5 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-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-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 199/4885CYP1A1 676/4885CYP1B1 1067/4885

“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.