SCHEMBL1634056

SCHEMBL1634056

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2cc(C(=O)O)c(-c3ccccc3OC)cc2N)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
PTGES2 Q9H7Z7 6/20 0.40
MET P08581 1/20 0.39
NQO2 P16083 1/20 0.39
FECH P22830 1/20 0.39
CLK3 P49761 1/20 0.39
PLK1 P53350 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NFE2L2 Q16236 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
FABP4 P15090 1/20 0.37
LMNA P02545 1/20 0.37
AURKA O14965 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL1636572 0.83 MAPT (0.48) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL1635788 0.82 BRPF1 (0.43) ALDH1A1HTTMEN1KMT2A
SCHEMBL1635907 0.81 PLK1 (0.46) ALDH1A1METNQO2FECHCLK3
SCHEMBL1635910 0.81 PLK1 (0.46) ALDH1A1METNQO2FECHCLK3
SCHEMBL1637073 0.76 ALDH1A1 (0.45) ALDH1A1HTTPTGES2METNQO2
SCHEMBL1637078 0.76 ALDH1A1 (0.45) ALDH1A1HTTPTGES2METNQO2
SCHEMBL2209636 0.76 CYP1A1 (0.47) ALDH1A1HTTPTGES2METNQO2
SCHEMBL1634060 0.75 ALDH1A1 (0.42) ALDH1A1METNQO2FECHCLK3
SCHEMBL1635273 0.75 PTGES2 (0.42) ALDH1A1HTTPTGES2NFE2L2
SCHEMBL1634427 0.74 ALDH1A1 (0.43) ALDH1A1HTTPTGES2METNQO2

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 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.