SCHEMBL4960468

SCHEMBL4960468

Cc1ccc(S(=O)(=O)OCC2Oc3cc(Cl)cc(-c4ccc(Cl)cc4C)c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
MME P08473 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 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
MAPK1 P28482 1/20 0.34
RORC P51449 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.33
STAT3 P40763 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
PGR P06401 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
ENPP2 Q13822 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
SCHEMBL4960446 0.92 PTGDR2 (0.35) PTGDR2MMEMAPTALDH1A1CYP3A4
SCHEMBL4961770 0.91 KMT2A (0.34) MMEMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL4962402 0.90 VDR (0.35) MAPTALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6103681 0.88 NR1I2 (0.40) MAPTALDH1A1TSHRKMT2A
SCHEMBL4964332 0.87 CA2 (0.37) PTGDR2MMEMAPTALDH1A1CYP3A4
SCHEMBL4965364 0.86 VDR (0.36) MAPTALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4960945 0.84 HSP90AA1 (0.36) MMEMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL6103664 0.84 CA2 (0.35) MMEMAPT
SCHEMBL4961625 0.84 HSP90AA1 (0.36) MMEMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL4961001 0.83 AQP1 (0.42) PTGDR2MMEMAPTALDH1A1CYP3A4

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 PTGDR2 64/4885MME 3395/4885MAPT 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.