SCHEMBL3236546

SCHEMBL3236546

COc1cc(OC)c(C=C[S+]([O-])Cc2ccc(OC)c(NC(=O)CN3CCN(C)CC3)c2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
HDAC3 O15379 1/20 0.47
PLK1 P53350 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ALDH1A1 P00352 8/20 0.46
WNT3A P56704 1/20 0.46
RAD52 P43351 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.45

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
SCHEMBL3236534 1.00 KMT2A (0.48) KMT2AMEN1HDAC3PLK1HDAC4
SCHEMBL3235536 0.84 PLK1 (0.53) KMT2AMEN1HDAC3PLK1HDAC4
SCHEMBL3235503 0.84 PLK1 (0.53) KMT2AMEN1HDAC3PLK1HDAC4
SCHEMBL1634248 0.84 PTGS1 (0.38) KMT2AMEN1PLK1ALDH1A1GFER
SCHEMBL3230061 0.84 F10 (0.49) ALDH1A1SMN1; SMN2LMNA
SCHEMBL3238302 0.83 PLK1 (0.58) KMT2AMEN1HDAC3PLK1HDAC4
SCHEMBL3229971 0.83 PLK1 (0.58) KMT2AMEN1HDAC3PLK1HDAC4
SCHEMBL3236640 0.83 PLK1 (0.52) KMT2AMEN1HDAC3PLK1HDAC4
SCHEMBL3236085 0.83 PLK1 (0.52) KMT2AMEN1HDAC3PLK1HDAC4
SCHEMBL3236089 0.83 PLK1 (0.52) KMT2AMEN1HDAC3PLK1HDAC4

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-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
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 KMT2A 3092/4885MEN1 1396/4885HDAC3 3325/4885

“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.