SCHEMBL1637073

SCHEMBL1637073

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2cc(S(=O)(=O)O)c(-c3ccccc3OC)cc2OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
PTGES2 Q9H7Z7 8/20 0.43
NFE2L2 Q16236 1/20 0.42
PLK1 P53350 3/20 0.38
MET P08581 1/20 0.38
NQO2 P16083 1/20 0.38
FECH P22830 1/20 0.38
CLK3 P49761 1/20 0.38
LMNA P02545 1/20 0.37
AURKA O14965 1/20 0.37
STK10 O94804 1/20 0.37
SLK Q9H2G2 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
GAA P10253 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL1637078 1.00 ALDH1A1 (0.45) ALDH1A1HTTPTGES2NFE2L2PLK1
SCHEMBL1634430 0.92 ALDH1A1 (0.43) ALDH1A1HTTPTGES2NFE2L2PLK1
SCHEMBL1634427 0.92 ALDH1A1 (0.43) ALDH1A1HTTPTGES2NFE2L2PLK1
SCHEMBL1635273 0.84 PTGES2 (0.42) ALDH1A1HTTPTGES2NFE2L2
SCHEMBL1634029 0.82 MMP1 (0.44) ALDH1A1HTTLMNAAURKAABCG2
SCHEMBL1634369 0.79 PLK1 (0.44) ALDH1A1PLK1METNQO2FECH
SCHEMBL1634374 0.79 PLK1 (0.44) ALDH1A1PLK1METNQO2FECH
SCHEMBL1635126 0.77 MMP1 (0.42) ALDH1A1LMNAAURKAABCG2GAA
SCHEMBL1634056 0.76 ALDH1A1 (0.44) ALDH1A1HTTPTGES2NFE2L2PLK1
SCHEMBL1635180 0.76 PLK1 (0.43) ALDH1A1PLK1METNQO2FECH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 564/4885HTT 2990/4885PTGES2 538/4885

“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.