SCHEMBL5770835

SCHEMBL5770835

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)C2CNC(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CXCR2 P25025 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
GLO1 Q04760 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
THRB P10828 1/20 0.35
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5772238 0.90 NT5E (0.39) NT5EKDM4ECXCR2MAPTOPRM1
SCHEMBL5773593 0.88 MAPT (0.40) NT5EKDM4EPKMSMN1; SMN2LMNA
SCHEMBL5771236 0.88 CHRM1 (0.39) NT5E
SCHEMBL7521561 0.83 NT5E (0.43) NT5EKDM4EPKMCXCR2MAPT
SCHEMBL5838516 0.83 KDM4E (0.38) NT5EKDM4ESMN1; SMN2CXCR2LMNA
SCHEMBL5837693 0.82 KMT2A (0.46) PKMLMNAMAPTGLO1KMT2A
SCHEMBL5837772 0.82 PTPN1 (0.47) SMN1; SMN2MAPTOPRM1OPRK1GLO1
SCHEMBL5837796 0.82 PTPN1 (0.46) PKMSMN1; SMN2OPRM1OPRK1GLO1
SCHEMBL5769422 0.81 PTPN1 (0.37) NT5EKDM4EMAPTKMT2A
SCHEMBL5771466 0.78 KDM4E (0.41) NT5EKDM4ESMN1; SMN2LMNAMAPT

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 NT5E 921/4885KDM4E 890/4885PKM 1719/4885

“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.