SCHEMBL5773506

SCHEMBL5773506

CN1CCc2c(sc(NC(=O)C(=O)O)c2C(=O)O)C1CNC(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.47
PTPN2 P17706 6/20 0.47
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 1/20 0.39
KLKB1 P03952 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7211425 0.86 L3MBTL1 (0.39) HDAC1HDAC2LMNANPSR1CNR1
SCHEMBL7095476 0.85 CNR1 (0.42) HDAC1HDAC2LMNANPSR1CNR1
SCHEMBL5769433 0.85 PTPN1 (0.53) PTPN1PTPN2HDAC1HDAC2LMNA
SCHEMBL5770569 0.85 PTPN1 (0.53) PTPN1PTPN2HDAC1HDAC2LMNA
SCHEMBL5770319 0.76 CHRM1 (0.47) KLKB1
SCHEMBL5771236 0.76 CHRM1 (0.39)
SCHEMBL5769066 0.72 PTPN1 (0.39) PTPN1HDAC1HDAC2LMNANPSR1
SCHEMBL5837772 0.71 PTPN1 (0.47) PTPN1PTPN2L3MBTL1SMN1; SMN2KMT2A
SCHEMBL5768831 0.70 CHRM1 (0.41) KLKB1
SCHEMBL5837796 0.70 PTPN1 (0.46) PTPN1PTPN2HDAC1SMN1; SMN2MEN1

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 2/4885PTPN2 12/4885HDAC1 2024/4885

“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.