SCHEMBL4962402

SCHEMBL4962402

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.35
CA2 P00918 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SCN9A Q15858 1/20 0.32
PGR P06401 1/20 0.32
TP53 P04637 1/20 0.32
DHODH Q02127 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
SCHEMBL4965364 0.93 VDR (0.36) VDRCA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4961625 0.90 HSP90AA1 (0.36) VDRCA2ALDH1A1CYP3A4CYP2D6
SCHEMBL6103664 0.90 CA2 (0.35) VDRCA2MAPTLMNASCN9A
SCHEMBL4960468 0.90 PTGDR2 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4961199 0.89 MAPT (0.37) VDRALDH1A1TSHRMAPTLMNA
SCHEMBL4958789 0.88 VDR (0.35) VDRCA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4960894 0.87 LMNA (0.41) VDRCA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4961770 0.86 KMT2A (0.34) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4960446 0.85 PTGDR2 (0.35) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4961086 0.84 NR3C1 (0.35) VDRALDH1A1MAPTLMNAPGR

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 VDR 251/4885CA2 4153/4885ALDH1A1 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.