SCHEMBL4958838

SCHEMBL4958838

Cc1ccc(S(=O)(=O)OCC2CO2)c(Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
MGLL Q99685 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
SLC5A2 P31639 3/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4958841 0.81 TP53 (0.37) PRMT5WDR77MEN1KMT2AALDH1A1
SCHEMBL31046060 0.78 PRMT5 (0.51) PRMT5WDR77MEN1KMT2AALDH1A1
SCHEMBL9340588 0.78 PRMT5 (0.51) PRMT5WDR77MEN1KMT2AALDH1A1
SCHEMBL8115571 0.78 PRMT5 (0.51) PRMT5WDR77MEN1KMT2AALDH1A1
SCHEMBL2953774 0.78 PRMT5 (0.51) PRMT5WDR77MEN1KMT2AALDH1A1
SCHEMBL9820099 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL9387754 0.74 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL27653272 0.73 MEN1 (0.39) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL16759739 0.73 MEN1 (0.39) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL8693521 0.72 PRMT5 (0.63) PRMT5WDR77MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101218223-A Benzodioxane and benzodioxolane derivatives and uses thereof WYETH CORP (US) 2008-07-09 CN disclosed
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 PRMT5 2777/4885WDR77 2890/4885MGLL 2271/4885

“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.