SCHEMBL5769847

SCHEMBL5769847

C[C@@H](c1ccccc1)N1CCc2c(sc(N)c2C(=O)OC(C)(C)C)[C@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.37
ADORA1 P30542 4/20 0.36
KEAP1 Q14145 13/20 0.36
NFE2L2 Q16236 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CXCR2 P25025 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
SCHEMBL5768503 1.00 GRM6 (0.37) GRM6ADORA1KEAP1NFE2L2KMT2A
SCHEMBL5768500 1.00 GRM6 (0.37) GRM6ADORA1KEAP1NFE2L2KMT2A
SCHEMBL7003545 0.89 KEAP1 (0.40) ADORA1KEAP1NFE2L2KMT2A
SCHEMBL5766511 0.87 GRM6 (0.41) GRM6ADORA1KMT2AMEN1LMNA
SCHEMBL5768050 0.87 GRM6 (0.41) GRM6ADORA1KMT2AMEN1LMNA
SCHEMBL5770902 0.87 GRM6 (0.41) GRM6ADORA1KMT2AMEN1LMNA
SCHEMBL7560915 0.87 GRM6 (0.41) GRM6ADORA1KMT2AMEN1LMNA
SCHEMBL5766514 0.87 GRM6 (0.41) GRM6ADORA1KMT2AMEN1LMNA
SCHEMBL5837554 0.84 ADORA1 (0.40) GRM6ADORA1KEAP1NFE2L2MAPT
SCHEMBL5838427 0.82 HTR1A (0.34) GRM6ADORA1KEAP1NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US 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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 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 (2 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 GRM6 2745/4885ADORA1 1290/4885KEAP1 2361/4885
US-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPN1, PTPRO, PTPRS GRM6 3132/4885ADORA1 1492/4885KEAP1 2627/4885

“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.