SCHEMBL2898679

SCHEMBL2898679

CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 1.00
PPARA Q07869 11/20 1.00
CYP2C9 P11712 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
CYP4X1 Q8N118 1/20 1.00
EGFR P00533 1/20 0.83
CHRM4 P08173 1/20 0.83
ADRB1 P08588 1/20 0.83
ADRA2A P08913 1/20 0.83
ALOX5 P09917 1/20 0.83
ADRB3 P13945 1/20 0.83
DRD2 P14416 1/20 0.83
ADRA2B P18089 1/20 0.83
CHRM3 P20309 1/20 0.83
TACR2 P21452 1/20 0.83
DRD1 P21728 1/20 0.83
TBXA2R P21731 1/20 0.83
SLC6A2 P23975 1/20 0.83

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
SCHEMBL2902603 1.00 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2898801 1.00 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2900857 0.95 PPARG (0.91) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2896472 0.94 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL14447488 0.94 PPARG (0.88) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2898585 0.93 PPARG (0.87) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL13384138 0.93 PPARG (0.87) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL13384055 0.93 PPARG (0.87) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2903365 0.93 PPARG (0.86) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL14573956 0.93 PPARG (0.86) PPARGPPARACYP2C9CYP1A2CYP2D6

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP claimed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US claimed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US claimed
US-20050277685-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2005-12-15 US claimed
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161689-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2007-07-12 US disclosed
US-20070161689-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2007-07-12 US disclosed
US-20070161689-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2007-07-12 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050277685-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2005-12-15 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 (3 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-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds FFAR2, PPARG, PPARA PPARG 2/4885PPARA 3/4885CYP2C9 777/4885
US-20050277685-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PPARG 3/4885PPARA 2/4885CYP2C9 1698/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PPARG 3/4885PPARA 2/4885CYP2C9 1698/4885

“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.