SCHEMBL8225934

SCHEMBL8225934

Cc1ccc(S(=O)(=O)OC[C@H]2COc3cccc(Br)c3O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CA2 P00918 2/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35

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
SCHEMBL21198466 1.00 LMNA (0.46) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL15865469 0.91 CA2 (0.40) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6976439 0.90 LMNA (0.48) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL7782073 0.90 LMNA (0.48) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6976444 0.90 LMNA (0.48) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6221416 0.88 ADRA1D (0.47) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL6746124 0.88 ADRA1D (0.47) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL3894671 0.88 ADRA1D (0.47) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL1021389 0.87 LMNA (0.46) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL5844958 0.87 LMNA (0.46) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A LMNA 2921/4885SMN1; SMN2 1352/4885ALDH1A1 814/4885

“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.