SCHEMBL1635162

SCHEMBL1635162

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
SETD7 Q8WTS6 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK1 P53350 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL1634604 0.93 MAPT (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL1634600 0.93 MAPT (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL1634098 0.85 PLK1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1636060 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL1636064 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2212169 0.84 MEN1 (0.54) ALOX5SETD7MEN1KMT2AMAPT
SCHEMBL2212176 0.84 MEN1 (0.54) ALOX5SETD7MEN1KMT2AMAPT
SCHEMBL1635584 0.84 ALOX5 (0.55) ALOX5SETD7MEN1KMT2AMAPT
SCHEMBL1634058 0.83 ABCG2 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1635394 0.82 PLK1 (0.55) ALOX5MEN1KMT2AMAPTALDH1A1

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 ALOX5 964/4885SETD7 2930/4885MEN1 2795/4885

“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.