SCHEMBL4962124

SCHEMBL4962124

Cc1ccc(S(=O)(=O)OC[C@H]2COc3cc(Cl)cc(-c4ccccc4C(F)(F)F)c3O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 4/20 0.33
RORC P51449 4/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32
RAB9A P51151 1/20 0.32
LDHA P00338 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL4961119 0.90 LMNA (0.34) LMNASMN1; SMN2MAPTRORCMAPK1
SCHEMBL4960894 0.89 LMNA (0.41) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL4961703 0.88 LMNA (0.39) LMNASMN1; SMN2MAPTMAPK1HTT
SCHEMBL4962326 0.88 LMNA (0.42) LMNASMN1; SMN2MAPTRORCMAPK1
SCHEMBL4961282 0.88 LMNA (0.42) LMNASMN1; SMN2MAPTRORCMAPK1
SCHEMBL4961229 0.88 LMNA (0.40) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL6112424 0.87 LMNA (0.38) LMNASMN1; SMN2MAPTRORCMAPK1
SCHEMBL4960228 0.87 LMNA (0.38) LMNASMN1; SMN2MAPTRORCMAPK1
SCHEMBL4962556 0.86 LMNA (0.38) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4959904 0.84 LMNA (0.41) LMNASMN1; SMN2MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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 1352/4885MAPT 3207/4885

“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.