SCHEMBL5771550

SCHEMBL5771550

COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APAF1 O14727 1/20 0.37
GAA P10253 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
LMNA P02545 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL7003370 0.89 CASP3 (0.42) CASP3MEN1KMT2AAPAF1GAA
SCHEMBL7520515 0.86 KDM4E (0.46) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL5766921 0.86 KDM4E (0.44) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL5837554 0.82 ADORA1 (0.40) MAPTKDM4EADORA1
SCHEMBL5771466 0.82 KDM4E (0.41) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL5773593 0.82 MAPT (0.40) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL5772973 0.82 MAPT (0.41) CASP3MAPTKDM4EMEN1KMT2A
SCHEMBL5771556 0.81 MAPT (0.38) CASP3MAPTKDM4EMEN1KMT2A
SCHEMBL5838731 0.80 ADORA1 (0.48) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL5837593 0.80 KDM4E (0.37) MAPTKDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
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
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 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-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) PTPRO, PTPN1, PTPRS CASP3 4013/4885MAPT 4142/4885KDM4E 890/4885

“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.