SCHEMBL2898997

SCHEMBL2898997

COc1ccc(Oc2c(C)n(Cc3cc(OC(C)(C)C(=O)O)ccc3Cl)c3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.49
PPARG P37231 13/20 0.47
AKR1B1 P15121 1/20 0.42
PPARA Q07869 3/20 0.40
PLA2G2A P14555 1/20 0.40
NPBWR1 P48145 2/20 0.39
PPARD Q03181 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
SCHEMBL2902698 0.87 PPARG (0.60) PTGDR2PPARG
SCHEMBL2899000 0.86 PPARG (0.52) PTGDR2PPARGPPARAPLA2G2APPARD
SCHEMBL2898673 0.85 PPARG (0.63) PTGDR2PPARGPPARA
SCHEMBL2901933 0.82 PPARG (0.56) PTGDR2PPARGAKR1B1PPARANPBWR1
SCHEMBL2901861 0.82 PPARG (0.56) PTGDR2PPARGPPARAPPARD
SCHEMBL2895889 0.79 PPARG (0.58) PTGDR2PPARGAKR1B1PPARA
SCHEMBL2902224 0.78 PPARG (0.57) PTGDR2PPARGAKR1B1
SCHEMBL2902176 0.78 PPARG (0.57) PTGDR2PPARGAKR1B1
SCHEMBL2898058 0.76 PPARG (0.74) PPARG
SCHEMBL2901679 0.76 PPARG (0.74) PPARG

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 14 patents. 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-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
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 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 (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-20050277685-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PTGDR2 185/4885PPARG 3/4885AKR1B1 1018/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PTGDR2 185/4885PPARG 3/4885AKR1B1 1018/4885

“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.