SCHEMBL5771236

SCHEMBL5771236

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)C2CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.39
BCHE P06276 15/20 0.39
ACHE P22303 15/20 0.39
NT5E P21589 1/20 0.38
BCL2 P10415 1/20 0.38
AHR P35869 1/20 0.37

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
SCHEMBL5768831 0.90 CHRM1 (0.41) CHRM1BCHEACHEBCL2AHR
SCHEMBL7211425 0.90 L3MBTL1 (0.39) BCHEACHENT5E
SCHEMBL5770835 0.88 NT5E (0.41) NT5E
SCHEMBL5772238 0.84 NT5E (0.39) NT5E
SCHEMBL5770319 0.83 CHRM1 (0.47) CHRM1BCHEACHEBCL2AHR
SCHEMBL5769066 0.83 PTPN1 (0.39) NT5E
SCHEMBL5838516 0.78 KDM4E (0.38) NT5E
SCHEMBL5773593 0.76 MAPT (0.40) NT5E
SCHEMBL5773506 0.76 PTPN1 (0.47)
SCHEMBL5837651 0.76 DRD4 (0.46)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301516-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK AS (DK) 2006-03-22 EP disclosed
US-6613903-B2 Such as 7-(benzoylamino-methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno(2,3 -c)pyridine-3-carboxylic acid for treatment of diabetes, insulin resistance, and obesity NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
US-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-10-17 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-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) PTPRO, PTPN1, PTPRS CHRM1 3662/4885BCHE 3451/4885ACHE 4339/4885

“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.