SCHEMBL5039368

SCHEMBL5039368

CCCCCCN(CC)C(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CC(C)C)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.34
ALDH1A1 P00352 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
BCHE P06276 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6069264 0.91 MEN1 (0.37) PLA2G4AALDH1A1HCRTR1HCRTR2POLB
SCHEMBL5043763 0.87 ALDH1A1 (0.37) PLA2G4AALDH1A1POLBLMNAMAPT
SCHEMBL5043782 0.85 CTSK (0.36) PLA2G4AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL5133265 0.83 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2TP53
SCHEMBL5039361 0.77 TSHR (0.38) ALDH1A1POLBMAPK1SMN1; SMN2LMNA
SCHEMBL5039350 0.70 HPGD (0.45) ALDH1A1POLBMAPK1SMN1; SMN2LMNA
SCHEMBL5039641 0.68 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL5045868 0.68 TSHR (0.39) ALDH1A1POLBMAPK1SMN1; SMN2LMNA
SCHEMBL6068958 0.68 ALDH1A1 (0.41) ALDH1A1POLBMAPK1SMN1; SMN2LMNA
SCHEMBL5043897 0.66 MAPT (0.41) ALDH1A1POLBLMNAMAPT

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 PLA2G4A 1747/4885ALDH1A1 959/4885HCRTR1 26/4885

“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.