SCHEMBL5043612

SCHEMBL5043612

COc1ccc(OCc2nc(-c3cc(C(=O)O)c(C)n3CCc3ccc(OC)c(OC)c3)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.47
PPARA Q07869 2/20 0.47
MAPT P10636 7/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL5043835 0.93 PPARD (0.47) PPARDPPARAMAPTALDH1A1SMN1; SMN2
SCHEMBL5048561 0.86 PPARD (0.48) PPARDPPARAMAPTSMN1; SMN2NPC1
SCHEMBL5048910 0.85 PPARD (0.48) PPARDPPARAMAPTALDH1A1LMNA
SCHEMBL5043726 0.85 SMN1; SMN2 (0.53) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5044030 0.84 MAPT (0.48) PPARDPPARAMAPTALDH1A1LMNA
SCHEMBL5043785 0.84 ALDH1A1 (0.48) PPARDPPARAMAPTALDH1A1LMNA
SCHEMBL5049140 0.82 PPARD (0.48) PPARDPPARAMAPTNPC1HSP90AA1
SCHEMBL5049162 0.80 KDM4E (0.41) PPARDPPARAMAPTALDH1A1SMN1; SMN2
SCHEMBL5048595 0.79 ALDH1A1 (0.49) PPARDPPARAMAPTALDH1A1SMN1; SMN2
SCHEMBL6883083 0.78 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 125/4885MAPT 3334/4885

“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.