SCHEMBL5048595

SCHEMBL5048595

COc1ccc(OCc2nc(-c3cc(C(=O)O)c(C)n3Cc3cccs3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
TSHR P16473 8/20 0.45
HSD17B10 Q99714 6/20 0.45
MAPK1 P28482 4/20 0.45
ESR1 P03372 1/20 0.45
HSP90AA1 P07900 1/20 0.43
POLB P06746 3/20 0.43
OPRK1 P41145 2/20 0.41
USP2 O75604 6/20 0.41
CYP2C9 P11712 6/20 0.41
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41

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
SCHEMBL5048561 0.88 PPARD (0.48) MAPTL3MBTL1NPC1RAB9APPARD
SCHEMBL5040255 0.88 MAPT (0.49) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5048600 0.88 NPC1 (0.50) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5048552 0.86 MAPT (0.49) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5047898 0.86 PPARD (0.44) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5043783 0.86 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5048910 0.85 PPARD (0.48) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5049140 0.84 PPARD (0.48) MAPTL3MBTL1NPC1RAB9APPARD
SCHEMBL5044030 0.83 MAPT (0.48) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5043835 0.83 PPARD (0.47) ALDH1A1MAPTL3MBTL1NPC1RAB9A

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 ALDH1A1 959/4885MAPT 3334/4885L3MBTL1 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.