SCHEMBL2899000

SCHEMBL2899000

COc1ccc(Oc2c(C)n(Cc3cccc(OC(C)(C)C(=O)O)c3)c3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.52
PPARA Q07869 9/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.45
PPARD Q03181 5/20 0.45
CYP2C9 P11712 1/20 0.44
EGFR P00533 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
ALOX5 P09917 1/20 0.44
ADRB3 P13945 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
TACR2 P21452 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL2901861 0.92 PPARG (0.56) PPARGPPARAPTGDR2PPARDCYP2C9
SCHEMBL2895889 0.91 PPARG (0.58) PPARGPPARAPTGDR2CYP2C9EGFR
SCHEMBL2900823 0.87 PPARG (0.63) PPARGPPARAPTGDR2CYP2C9EGFR
SCHEMBL2896224 0.87 PPARG (0.63) PPARGPPARAPTGDR2CYP2C9EGFR
SCHEMBL2898997 0.86 PTGDR2 (0.49) PPARGPPARAPTGDR2PPARDPLA2G2A
SCHEMBL2902687 0.86 PPARG (0.55) PPARGPPARAPTGDR2CYP2C9EGFR
SCHEMBL2904094 0.85 PPARG (0.59) PPARGPPARAPTGDR2CYP2C9EGFR
SCHEMBL2901856 0.84 PPARG (0.66) PPARGPPARAPTGDR2PPARDCYP2C9
SCHEMBL2904088 0.80 PPARG (0.79) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2901933 0.80 PPARG (0.56) PPARGPPARAPTGDR2

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 2/4885PTGDR2 185/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PPARG 3/4885PPARA 2/4885PTGDR2 185/4885

“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.