SCHEMBL2903845

SCHEMBL2903845

COc1ccc(C(=O)c2c(C)n(-c3cccc(O)c3)c3cc(OC(F)(F)F)ccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.71
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARA Q07869 8/20 0.45
CYP2C9 P11712 3/20 0.45
EGFR P00533 1/20 0.45
CHRM4 P08173 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
ALOX5 P09917 1/20 0.45
ADRB3 P13945 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
SCHEMBL14574006 0.87 PPARG (0.71) PPARGHTTMAPTPPARACYP2C9
SCHEMBL670922 0.87 PPARG (0.73) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL13384261 0.86 PPARG (0.79) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL5119415 0.86 PPARG (0.79) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2896771 0.86 PPARG (0.79) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2901993 0.84 PPARG (0.69) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL14447483 0.84 PPARG (0.87) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL5126400 0.84 PPARG (0.76) PPARGPPARACYP2C9EGFRCHRM4
Mk-0533 SCHEMBL671319 0.84 PPARG (1.00) PPARGPPARACYP2C9EGFRCHRM4
Mk-0533 SCHEMBL13384215 0.84 PPARG (1.00) PPARGPPARACYP2C9EGFRCHRM4

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 21 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 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-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 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-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 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
EP-1537078-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2005-06-08 EP disclosed
WO-2004020409-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 WO disclosed
WO-2004020408-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 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 (4 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 2/4885HPGD 1538/4885HTT 2391/4885
US-20050277685-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PPARG 3/4885HPGD 1185/4885HTT 682/4885
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent PPARD, PPARG, PPARA PPARG 2/4885HPGD 393/4885HTT 1334/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PPARG 3/4885HPGD 1185/4885HTT 682/4885

“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.