SCHEMBL5044175

SCHEMBL5044175

COc1ccc(Cn2c(-c3csc(-c4ccccc4Cl)n3)cc(C(=O)O)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 14/20 0.49
PPARG P37231 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL6879060 0.89 KDM4E (0.53) EIF4EKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5045711 0.89 KDM4E (0.55) EIF4EPPARGKDM4ENPC1RAB9A
SCHEMBL5039946 0.88 EIF4E (0.42) EIF4EPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6471994 0.87 KDM4E (0.51) EIF4EKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6884109 0.86 EIF4E (0.57) EIF4EKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5049089 0.86 HPGD (0.44) EIF4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5048709 0.86 HPGD (0.45) EIF4EPPARGKDM4ENPC1RAB9A
SCHEMBL6881059 0.85 EIF4E (0.50) EIF4EPPARGKDM4ENPC1RAB9A
SCHEMBL5044005 0.85 LMNA (0.46) EIF4EPPARGKDM4ENPC1RAB9A
SCHEMBL6883231 0.84 KDM4E (0.50) EIF4EKDM4ENPC1RAB9ASMN1; SMN2

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 EIF4E 2174/4885PPARG 103/4885KDM4E 2916/4885

“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.