SCHEMBL5772238

SCHEMBL5772238

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.39
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
OGA O60502 5/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CXCR2 P25025 2/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL5770835 0.90 NT5E (0.41) NT5EKDM4EMAPTCXCR2OPRM1
SCHEMBL5771466 0.87 KDM4E (0.41) NT5EKDM4EMAPTOGAALDH1A1
SCHEMBL5838516 0.84 KDM4E (0.38) NT5EKDM4EALDH1A1HPGDCXCR2
SCHEMBL5771236 0.84 CHRM1 (0.39) NT5E
SCHEMBL5769422 0.83 PTPN1 (0.37) NT5EKDM4EMAPTALDH1A1PTPN1
SCHEMBL5773593 0.78 MAPT (0.40) NT5EKDM4EMAPTALDH1A1HPGD
SCHEMBL5766921 0.76 KDM4E (0.44) NT5EKDM4EMAPTALDH1A1HPGD
SCHEMBL7520515 0.76 KDM4E (0.46) NT5EKDM4EMAPTALDH1A1HPGD
SCHEMBL5837062 0.75 NT5E (0.37) NT5EKDM4EMAPTOGACXCR2
SCHEMBL7521561 0.73 NT5E (0.43) NT5EKDM4EMAPTCXCR2PTPN1

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 890/4885MAPT 4142/4885

“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.