SCHEMBL2901716

SCHEMBL2901716

CC[C@@H](Oc1cccc(CBr)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
PPARA Q07869 15/20 0.50
PPARG P37231 13/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
PPARD Q03181 6/20 0.47
PLAU P00749 2/20 0.45
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45

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
SCHEMBL14122371 1.00 SMN1; SMN2 (0.55) SMN1; SMN2PPARAPPARGPTGDR2PPARD
SCHEMBL13433919 0.86 SMN1; SMN2 (0.56) SMN1; SMN2PPARAPPARGPTGDR2PPARD
SCHEMBL13384143 0.85 L3MBTL1 (0.48) SMN1; SMN2PPARAPPARGPTGDR2
SCHEMBL2897929 0.85 L3MBTL1 (0.48) SMN1; SMN2PPARAPPARGPTGDR2
SCHEMBL14122075 0.85 ALDH1A1 (0.44) SMN1; SMN2
SCHEMBL14121943 0.85 ALDH1A1 (0.44) SMN1; SMN2
SCHEMBL14121944 0.85 ALDH1A1 (0.44) SMN1; SMN2
SCHEMBL14266882 0.85 L3MBTL1 (0.48) SMN1; SMN2PPARAPPARGPTGDR2
SCHEMBL200619 0.83 SMN1; SMN2 (0.59) SMN1; SMN2PPARAPPARG
SCHEMBL1125437 0.81 CYP2C9 (0.50) PPARAPPARGPTGDR2PPARDPLAU

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 8 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
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-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 SMN1; SMN2 4871/4885PPARA 2/4885PPARG 3/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG SMN1; SMN2 4871/4885PPARA 2/4885PPARG 3/4885

“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.