SCHEMBL2896604

SCHEMBL2896604

COc1ccc(C(=O)c2c(C)n(Cc3cccc(SC(C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.78
PPARA Q07869 11/20 0.67
CYP2C9 P11712 2/20 0.67
EGFR P00533 1/20 0.67
CHRM4 P08173 1/20 0.67
ADRB1 P08588 1/20 0.67
ADRA2A P08913 1/20 0.67
ALOX5 P09917 1/20 0.67
ADRB3 P13945 1/20 0.67
DRD2 P14416 1/20 0.67
ADRA2B P18089 1/20 0.67
CHRM3 P20309 1/20 0.67
TACR2 P21452 1/20 0.67
DRD1 P21728 1/20 0.67
TBXA2R P21731 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
OPRM1 P35372 1/20 0.67
PTGER4 P35408 1/20 0.67
DRD3 P35462 1/20 0.67

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
SCHEMBL2901970 0.88 PPARG (0.71) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2901702 0.87 PPARG (1.00) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2901662 0.87 PPARG (1.00) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2898978 0.87 PPARG (0.80) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27605209 0.84 PPARG (0.75) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL14266901 0.84 PPARG (0.86) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL14573956 0.84 PPARG (0.86) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2903987 0.84 PPARG (0.75) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2903365 0.84 PPARG (0.86) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2896211 0.83 PPARG (0.80) 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 17 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
CN-1678578-A indole compounds having anti-diabetic activity MERCK & CO INC (US) 2005-10-05 CN claimed
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
CN-100457730-C indole compounds having anti-diabetic activity MERCK & CO INC (US) 2009-02-04 CN 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
CN-1678578-A indole compounds having anti-diabetic activity MERCK & CO INC (US) 2005-10-05 CN 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 2/4885CYP2C9 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.