SCHEMBL3229941

SCHEMBL3229941

COc1cc(OC)c(/C=C/[S+]([O-])Cc2ccc(OC)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
GUSB P08236 1/20 0.41
RELA Q04206 2/20 0.41
NFKBIA P25963 1/20 0.41
PLK1 P53350 3/20 0.40
TTR P02766 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MET P08581 1/20 0.39
NQO2 P16083 1/20 0.39
FECH P22830 1/20 0.39
CLK3 P49761 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
SCHEMBL3229946 1.00 ALDH1A1 (0.51) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL13638231 0.85 PLK1 (0.55) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL1634039 0.85 HPGD (0.43) ALDH1A1POLBLMNAHPGDMEN1
SCHEMBL3239313 0.82 LMNA (0.54) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL3239322 0.82 LMNA (0.54) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL3234916 0.81 PLK1 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3234920 0.81 PLK1 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3236976 0.80 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2ATTR
SCHEMBL3236984 0.80 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2ATTR
SCHEMBL3236832 0.79 MAPT (0.56) ALDH1A1POLBLMNAL3MBTL1MEN1

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
US-7744889-B2 Alpha, beta-unsaturated sulfoxides for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-06-29 US claimed
US-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents ONCONOVA THERAPEUTICS INC. 2006-12-14 US claimed
EP-1689706-B1 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIV - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-11 EP disclosed
US-7744889-B2 Alpha, beta-unsaturated sulfoxides for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-06-29 US disclosed
US-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents ONCONOVA THERAPEUTICS INC. 2006-12-14 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-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents SULT1E1, GSTO1, CCNA1 ALDH1A1 102/4885POLB 898/4885LMNA 1664/4885

“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.