SCHEMBL4958841

SCHEMBL4958841

Cc1ccc(S(=O)(=O)OCc2ccccc2)c(CC2CO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
AR P10275 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP19A1 P11511 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
SCHEMBL4958838 0.81 PRMT5 (0.44) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL27388777 0.81 KMT2A (0.36) TP53CA2MEN1KMT2AALDH1A1
SCHEMBL4795645 0.75 CA2 (0.39) CA1CA2CA9MEN1KMT2A
SCHEMBL909187 0.75 KMT2A (0.38) CA2MEN1KMT2AALDH1A1LMNA
SCHEMBL909752 0.75 KMT2A (0.38) CA2MEN1KMT2AALDH1A1LMNA
SCHEMBL537494 0.75 KMT2A (0.38) CA2MEN1KMT2AALDH1A1LMNA
SCHEMBL5879437 0.73 LMNA (0.40) TDP1ALDH1A1MAPTPTGER1PTGER4
SCHEMBL30023637 0.72 SLC5A2 (0.44) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30321034 0.72 PRMT5 (0.42) CA1CA9MEN1KMT2AALDH1A1
SCHEMBL7790404 0.71 ALDH1A1 (0.48) CA1CA2CA9TDP1MEN1

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 TP53 4185/4885CA1 4027/4885CA2 4153/4885

“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.