SCHEMBL4960446

SCHEMBL4960446

Cc1ccc(S(=O)(=O)OCC2Oc3cc(Cl)cc(-c4ccc(Cl)cc4Cl)c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
MME P08473 1/20 0.34
DPP4 P27487 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
AQP1 P29972 2/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 2/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4961770 0.93 KMT2A (0.34) MMEDPP4FLT1FLT4KDR
SCHEMBL4960468 0.92 PTGDR2 (0.36) PTGDR2MMEKMT2ACYP3A4CYP2D6
SCHEMBL4961001 0.91 AQP1 (0.42) PTGDR2MMEDPP4FLT1FLT4
SCHEMBL4965364 0.91 VDR (0.36) CYP3A4CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL6103681 0.88 NR1I2 (0.40) KMT2AALDH1A1TSHRMAPTKDM4E
SCHEMBL4962967 0.86 CA2 (0.36) PTGDR2MMEDPP4AQP1CYP3A4
SCHEMBL4962402 0.85 VDR (0.35) CYP3A4CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL4962459 0.85 AQP1 (0.34) MMEDPP4FLT1FLT4KDR
SCHEMBL6103664 0.84 CA2 (0.35) MMEPTGS2MAPT
SCHEMBL4960945 0.84 HSP90AA1 (0.36) MMEKMT2ACYP3A4CYP2D6CYP2C19

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 3395/4885DPP4 4254/4885

“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.