SCHEMBL4604830

SCHEMBL4604830

CCOc1ccc2c(CCC(=O)O)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
HPGD P15428 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HTR2A P28223 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.47
HTR6 P50406 1/20 0.47
GPR17 Q13304 1/20 0.46
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL8690097 0.90 CYP2C19 (0.61) CYP2C19HPGDMTNR1AMTNR1BKMT2A
SCHEMBL4605682 0.87 MTNR1A (0.55) CYP2C19HPGDMTNR1AMTNR1BHTR2A
SCHEMBL23226241 0.86 MTNR1A (0.67) HPGDMTNR1AMTNR1BHTR2AMEN1
SCHEMBL11362476 0.83 CYP2D6 (0.57) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL15322606 0.81 BCHE (0.55) CYP2C19HPGDMTNR1AMTNR1BHTR2A
SCHEMBL11366604 0.81 HTR2A (0.54) CYP2C19MTNR1AMTNR1BHTR2AMEN1
SCHEMBL2537626 0.81 HTR2A (0.74) CYP2C19HTR2AMEN1KMT2AMAPT
SCHEMBL31370752 0.80 KMT2A (0.55) CYP2C19HPGDMTNR1AMTNR1BHTR2A
SCHEMBL20119825 0.79 HTR2A (0.63) CYP2C19HPGDMTNR1AMTNR1BHTR2A
SCHEMBL4776415 0.79 PRKAB2 (0.63) HPGDMAPTPRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD CYP2C19 435/4885HPGD 868/4885MTNR1A 81/4885

“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.