SCHEMBL2895348

SCHEMBL2895348

CCC(Oc1cc(Cn2c(C)c(Oc3ccc(OC)cc3)c3ccc(C(F)(F)F)cc32)ccc1F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.52
PPARA Q07869 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP4X1 Q8N118 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
AKR1B1 P15121 1/20 0.42

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
SCHEMBL2896754 0.92 PPARG (0.61) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL2904117 0.91 PPARG (0.63) PPARGPTGDR2
SCHEMBL2904111 0.91 PPARG (0.63) PPARGPTGDR2
SCHEMBL2901734 0.89 PPARG (0.54) PPARGPPARAPTGDR2AKR1B1
SCHEMBL2904094 0.88 PPARG (0.59) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL2901526 0.84 PPARG (0.73) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL2898851 0.83 PPARG (0.65) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL2898058 0.82 PPARG (0.74) PPARG
SCHEMBL2901679 0.82 PPARG (0.74) PPARG
SCHEMBL2900823 0.80 PPARG (0.63) PPARGPPARACYP2C9PTGDR2

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 PPARG 3/4885PPARA 2/4885CYP1A2 456/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PPARG 3/4885PPARA 2/4885CYP1A2 456/4885

“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.