SCHEMBL5049140

SCHEMBL5049140

COc1ccc(OCc2nc(-c3cc(C(=O)O)c(C)n3CC(C)C)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.48
PPARA Q07869 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HSP90AA1 P07900 1/20 0.46
BCHE P06276 7/20 0.41
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5043773 0.89 L3MBTL1 (0.45) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5048579 0.89 MAPT (0.43) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5048561 0.88 PPARD (0.48) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5048910 0.87 PPARD (0.48) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5044030 0.86 MAPT (0.48) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5043835 0.86 PPARD (0.47) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5043785 0.85 ALDH1A1 (0.48) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5043717 0.85 KDM4E (0.53) POLBMAPTRAB9ANPC1MEN1
SCHEMBL5048595 0.84 ALDH1A1 (0.49) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL5047852 0.83 PPARD (0.45) PPARDPPARAL3MBTL1POLBMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (1 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R PPARD 40/4885PPARA 125/4885L3MBTL1 4036/4885

“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.