SCHEMBL5767679

SCHEMBL5767679

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN[C@H]2CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.81
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
SCN4A P35499 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN3A Q9NY46 1/20 0.42
PIN1 Q13526 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTPN2 P17706 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
SCHEMBL5769149 1.00 PTPN1 (0.81) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5769138 0.90 PTPN1 (0.84) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5770879 0.90 PTPN1 (0.84) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5769156 0.89 PTPN1 (1.00) PTPN1KDM4EHSD17B10HPGDLMNA
SCHEMBL5772314 0.87 PTPN1 (0.79) PTPN1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5770525 0.85 PTPN1 (0.65) PTPN1HPGDNPC1LMNARAB9A
SCHEMBL5770158 0.84 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL7096725 0.83 PTPN1 (0.58) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL7096724 0.83 PTPN1 (0.58) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5770624 0.83 PTPN1 (0.61) PTPN1HPGDNPC1ALDH1A1PTPN2

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 2/4885KDM4E 890/4885HSD17B10 2143/4885

“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.