SCHEMBL4964084

SCHEMBL4964084

Cc1ccc(S(=O)(=O)OCC2Oc3cc(F)cc(-c4ccccc4C(F)(F)F)c3O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
VDR P11473 1/20 0.33
MAPT P10636 2/20 0.33
CA2 P00918 1/20 0.33
HSD11B1 P28845 3/20 0.33
PDE10A Q9Y233 1/20 0.33
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
RORC P51449 1/20 0.31
SCN9A Q15858 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
SCHEMBL4958789 0.89 VDR (0.35) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4962224 0.89 VDR (0.35) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4962819 0.88 MAPT (0.35) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4963776 0.86 MAPT (0.37) GAAVDRMAPTCA2TSHR
SCHEMBL4961316 0.86 CA2 (0.35) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4225503 0.84 AQP1 (0.37) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3345162 0.83 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4962938 0.82 AQP1 (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3342415 0.82 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4961001 0.80 AQP1 (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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 ALDH1A1 814/4885CYP3A4 284/4885CYP2D6 270/4885

“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.