SCHEMBL3240679

SCHEMBL3240679

COc1cc(OC)c(C=C[S+]([O-])Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.44
CYP1A2 P05177 4/20 0.44
CYP1A1 P04798 4/20 0.44
CYP1B1 Q16678 4/20 0.44
TUBB1 Q9H4B7 4/20 0.42
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3240659 1.00 ABCG2 (0.44) ABCG2CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL3236913 0.86 ABCG2 (0.43) ABCG2CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL3236895 0.86 ABCG2 (0.43) ABCG2CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL3230021 0.86 CYP1A1 (0.48) ABCG2CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL3230037 0.86 CYP1A1 (0.48) ABCG2CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL3230058 0.84 CYP1A1 (0.44) ABCG2CYP1A2CYP1A1CYP1B1MAOA
SCHEMBL3230089 0.84 CYP1A1 (0.44) ABCG2CYP1A2CYP1A1CYP1B1MAOA
SCHEMBL3233630 0.82 MAOA (0.52) ABCG2CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL3241231 0.82 ABCG2 (0.42) ABCG2CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL3241223 0.82 ABCG2 (0.42) ABCG2CYP1A2CYP1A1CYP1B1TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 ABCG2 3149/4885CYP1A2 1005/4885CYP1A1 391/4885

“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.