SCHEMBL5045109

SCHEMBL5045109

Cc1ccc(-c2nc(-c3cc(C(=O)O)c(C)n3CC3CCCCC3)cs2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.45
CPT2 P23786 2/20 0.45
CPT1B Q92523 1/20 0.45
NOTUM Q6P988 1/20 0.41
MTOR P42345 3/20 0.38
PIK3CA P42336 1/20 0.38
EIF4E P06730 7/20 0.37
IDH1 O75874 1/20 0.36
PLA2G2A P14555 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35
DUSP3 P51452 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ3 P48549 1/20 0.35

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
SCHEMBL6882755 0.90 CPT2 (0.47) CPT1ACPT2CPT1BNOTUMMTOR
SCHEMBL6879620 0.89 NOTUM (0.44) NOTUMEIF4EIDH1CDC25ACDC25B
SCHEMBL6871896 0.88 NOTUM (0.43) NOTUMMTORPIK3CAEIF4EIDH1
SCHEMBL6879641 0.87 IDH1 (0.46) NOTUMEIF4EIDH1HTR2AHTR2C
SCHEMBL6878789 0.87 NOTUM (0.42) NOTUMMTORPIK3CAIDH1HTR2A
SCHEMBL6872874 0.87 NOTUM (0.42) CPT1ANOTUMEIF4E
SCHEMBL5039354 0.87 CDC25A (0.49) CPT1ACPT2CPT1BPIK3CAEIF4E
SCHEMBL5039301 0.86 CDC25A (0.49) NOTUMEIF4EPLA2G2ACDC25ACDC25B
SCHEMBL6881405 0.86 NOTUM (0.41) NOTUMMTORPIK3CAEIF4EIDH1
SCHEMBL6472514 0.85 CNR1 (0.45) NOTUMEIF4E

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
CN-100360527-C CB 1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-01-09 CN disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
CN-1735611-A CB 1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US 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 CPT1A 717/4885CPT2 739/4885CPT1B 1189/4885

“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.