SCHEMBL5644684

SCHEMBL5644684

O=C(O)C(Oc1ccc(Cl)cc1-n1nc2ccccc2n1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.63
PPARA Q07869 5/20 0.63
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSPO P30536 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.38

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
SCHEMBL13374080 1.00 PPARG (0.63) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13374081 1.00 PPARG (0.63) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13523120 0.96 PPARG (0.60) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13523108 0.94 PPARG (0.56) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13523102 0.92 PPARG (0.54) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13523096 0.91 PPARG (0.53) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13523174 0.91 PPARG (0.51) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13522956 0.89 PPARG (0.54) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL13523114 0.89 PPARG (0.51) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL16348349 0.89 PPARG (0.58) PPARGPPARAALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078421-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2006-07-18 US claimed
US-11007162-B2 Methods of reducing small, dense LDL particles CYMABAY THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2019-10-03 US disclosed
US-20160324811-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2016-11-10 US disclosed
US-20160324811-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2016-11-10 US disclosed
US-8288438-B2 Methods for avoiding edema in the treatment or prevention of PPARγ-responsive diseases, including cancer METABOLEX, INC. (US) 2012-10-16 US disclosed
US-8288438-B2 Methods for avoiding edema in the treatment or prevention of PPARγ-responsive diseases, including cancer METABOLEX, INC. (US) 2012-10-16 US disclosed
US-20100152295-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES METABOLEX INC. (US) 2010-06-17 US disclosed
US-20100152295-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES METABOLEX INC. (US) 2010-06-17 US disclosed
WO-2010045361-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES METABOLEX, INC. (US) 2010-04-22 WO disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer DIATEX, INC. 2008-10-30 US disclosed
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer DIATEX, INC. 2008-10-30 US disclosed
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders DIATEX, INC. 2008-08-14 US disclosed
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders DIATEX, INC. 2008-08-14 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 (6 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-20160324811-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP PPARG 409/4885PPARA 123/4885ALDH1A1 3386/4885
US-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP PPARG 409/4885PPARA 123/4885ALDH1A1 3386/4885
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885ALDH1A1 1316/4885
US-11007162-B2 Methods of reducing small, dense LDL particles LDLR, APOB, HDLBP PPARG 409/4885PPARA 123/4885ALDH1A1 3386/4885
US-20100152295-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP PPARG 409/4885PPARA 123/4885ALDH1A1 3386/4885
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885ALDH1A1 336/4885

“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.