SCHEMBL2897929

SCHEMBL2897929

CCOC(=O)C(CC)Oc1cccc(CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
AR P10275 1/20 0.47
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MEP1B Q16820 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL14266882 1.00 L3MBTL1 (0.48) L3MBTL1MAPK1TDP1TSHRAR
SCHEMBL13384143 1.00 L3MBTL1 (0.48) L3MBTL1MAPK1TDP1TSHRAR
SCHEMBL14121944 0.89 ALDH1A1 (0.44) L3MBTL1MAPK1TDP1TSHRCYP4F2
SCHEMBL14121943 0.89 ALDH1A1 (0.44) L3MBTL1MAPK1TDP1TSHRCYP4F2
SCHEMBL14122075 0.89 ALDH1A1 (0.44) L3MBTL1MAPK1TDP1TSHRCYP4F2
SCHEMBL2902147 0.87 L3MBTL1 (0.49) L3MBTL1MAPK1TDP1TSHRAR
SCHEMBL2901716 0.85 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARAPTGDR2
SCHEMBL14122371 0.85 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARAPTGDR2
SCHEMBL13384140 0.83 L3MBTL1 (0.46) L3MBTL1MAPK1TDP1TSHRAR
SCHEMBL767041 0.80 TDP1 (0.55) L3MBTL1TDP1TSHRARSMN1; SMN2

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 15 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 disclosed
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
EP-1537078-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2005-06-08 EP disclosed
WO-2004020408-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 WO disclosed
WO-2004020409-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 (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 L3MBTL1 2124/4885MAPK1 3467/4885TDP1 2563/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG L3MBTL1 2124/4885MAPK1 3467/4885TDP1 2563/4885

“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.