SCHEMBL4960503

SCHEMBL4960503

Cc1ccc(S(=O)(=O)OC[C@H]2COc3cc(Cl)cc(-c4cc(Cl)ccc4Cl)c3O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
CA1 P00915 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
FFAR1 O14842 10/20 0.33
CYP2B6 P20813 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL4962967 0.93 CA2 (0.36) CA2CA1LMNASMN1; SMN2ALDH1A1
SCHEMBL4964332 0.92 CA2 (0.37) CA2CA1LMNASMN1; SMN2ALDH1A1
SCHEMBL4961229 0.91 LMNA (0.40) CA2LMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4960818 0.90 CA2 (0.39) CA2CA1LMNASMN1; SMN2ALDH1A1
SCHEMBL4961834 0.90 MCOLN3 (0.36) CA2CA1LMNASMN1; SMN2ALDH1A1
SCHEMBL4960894 0.88 LMNA (0.41) CA2CA1LMNASMN1; SMN2ALDH1A1
SCHEMBL4959904 0.87 LMNA (0.41) CA2CA1LMNASMN1; SMN2ALDH1A1
SCHEMBL4961770 0.86 KMT2A (0.34) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4961703 0.86 LMNA (0.39) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL4962556 0.85 LMNA (0.38) LMNASMN1; SMN2ALDH1A1TSHRMAPT

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 CA2 4153/4885CA1 4027/4885LMNA 2921/4885

“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.