SCHEMBL5770445

SCHEMBL5770445

CC(=O)NCC1NCCc2c1sc(NC(=O)C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
CXCR2 P25025 9/20 0.37
ALDH1A1 P00352 5/20 0.33
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL5769823 0.87 PTPN1 (0.46) PTPN1CXCR2KDM4E
SCHEMBL6315778 0.81 PTPN2 (0.38) PTPN1CXCR2ALDH1A1HPGDKDM4E
SCHEMBL5837646 0.80 HPGD (0.42) PTPN1CXCR2ALDH1A1HTTHPGD
SCHEMBL5768909 0.79 PTPN1 (0.62) PTPN1
SCHEMBL5769066 0.77 PTPN1 (0.39) PTPN1CXCR2ALDH1A1MAPK1
SCHEMBL5772238 0.72 NT5E (0.39) PTPN1CXCR2ALDH1A1HPGDKDM4E
SCHEMBL5837475 0.72 PTPN1 (0.40) PTPN1CXCR2ALDH1A1USP2MAPK1
SCHEMBL5838593 0.71 PTPN2 (0.39) PTPN1CXCR2ALDH1A1USP2MAPK1
SCHEMBL5837100 0.70 CXCR2 (0.36) PTPN1CXCR2ALDH1A1HPGD
SCHEMBL5837700 0.67 PTPN2 (0.41) PTPN1CXCR2ALDH1A1HPGDMAPT

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 PTPN1 2/4885CXCR2 617/4885ALDH1A1 1724/4885

“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.