SCHEMBL13044489

SCHEMBL13044489

CCc1cc(C)c(S(=O)(=O)c2ccc(O)c(C)c2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.53
ESR1 P03372 12/20 0.46
ESR2 Q92731 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
CA2 P00918 1/20 0.40
AR P10275 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL69907 0.79 GAA (0.58) RAPGEF4ESR1ESR2GAAALDH1A1
SCHEMBL29599083 0.79 GAA (0.58) RAPGEF4ESR1ESR2GAAALDH1A1
SCHEMBL8493545 0.76 GAA (0.60) RAPGEF4ESR1ESR2GAAALDH1A1
SCHEMBL8908176 0.76 GAA (0.60) RAPGEF4ESR1ESR2GAAALDH1A1
SCHEMBL12084146 0.74 ALDH1A1 (0.67) ESR1GAAALDH1A1PKMMAPT
SCHEMBL30676220 0.73 ESR1 (0.71) ESR1ESR2GAAALDH1A1AR
SCHEMBL1416648 0.73 ESR1 (0.71) ESR1ESR2GAAALDH1A1AR
SCHEMBL12460963 0.73 GAA (0.61) RAPGEF4GAAALDH1A1PKMCA2
SCHEMBL9600349 0.72 ESR1 (0.43) RAPGEF4ESR1GAAALDH1A1PKM
SCHEMBL9460744 0.71 POLB (0.59) ESR1ESR2GAAALDH1A1PKM

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
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 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 (2 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 RAPGEF4 3538/4885ESR1 1256/4885ESR2 2127/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB RAPGEF4 3282/4885ESR1 1422/4885ESR2 2198/4885

“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.